Results from an HeteroFAM Request

Making molecular modeling accessible by combining NWChem, databases, web APIs (https://heterofam.pnnl.gov/api/arrows), and email (arrows@emsl.pnnl.gov)

HeteroFAM Movie 
#chemdb_queue_nwchem - version 2.0 - arrows_api url= http://localhost:8080/api/

#########################  START NWCHEM INPUT DECK - NWJOB 1144 ########################
#
# queue_nwchem_JobId: 69e5b0da1e45e21159a8e20f
# queue_nwchem_restart_count: 0
echo
5
Lattice="10.000  0.000  0.000  0.000 10.000  0.000  0.000  0.000 10.000" Properties=species:S:1:pos:R:3 pbc="T T T"
C     0.00000    0.00000    0.00000
H     0.63000    0.63000    0.63000
H    -0.63000   -0.63000    0.63000
H    -0.63000    0.63000   -0.63000
H     0.63000   -0.63000   -0.63000
### restart here ###


# queue_name: nwchem :queue_name
# label:nwchem-612.nw NWChem Job #df :label#########################  END   NWCHEM INPUT DECK - NWJOB 1144 ########################