{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.129891 0.022305 0.743384 ] [ 0.870109 0.977695 0.256616 ] [ 0.706567 0.718257 0.820743 ] [ 0.18244 0.485108 0.674692 ] [ 0.81756 0.514892 0.325308 ] [ 0.293433 0.281743 0.179257 ] [ 0.333645 0.180126 0.955991 ] [ 0.065144 0.613148 0.882205 ] [ 0.544627 0.447433 0.763453 ] [ 0.083839 0.21261 0.620564 ] [ 0.331342 0.763307 0.712082 ] [ 0.832518 0.947226 0.792489 ] [ 0.807639 0.561561 0.57408 ] [ 0.192361 0.438439 0.42592 ] [ 0.167482 0.052774 0.207511 ] [ 0.668658 0.236693 0.287918 ] [ 0.916161 0.78739 0.379436 ] [ 0.455373 0.552567 0.236547 ] [ 0.934856 0.386852 0.117795 ] [ 0.666355 0.819874 0.044009 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.43364542 "source-unit" "angstrom" } "b" { "source-value" 6.92611176 "source-unit" "angstrom" } "c" { "source-value" 8.52536369 "source-unit" "angstrom" } "alpha" { "source-value" 109.36660578 "source-unit" "degree" } "beta" { "source-value" 103.13599404 "source-unit" "degree" } "gamma" { "source-value" 86.09850651 "source-unit" "degree" } }