{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.155579 0.301376 ] [ 0.25 0.844421 0.698624 ] [ 0.25 0.655579 0.198624 ] [ 0.75 0.344421 0.801376 ] [ 0.25 0.174138 0.283719 ] [ 0.75 0.825862 0.716281 ] [ 0.75 0.674138 0.216281 ] [ 0.25 0.325862 0.783719 ] [ 0.25 0.524929 0.496118 ] [ 0.75 0.475071 0.503882 ] [ 0.75 0.024929 0.003882 ] [ 0.25 0.975071 0.996118 ] [ 0.001236 0.85373 0.431028 ] [ 0.501236 0.14627 0.568972 ] [ 0.998764 0.35373 0.068972 ] [ 0.498764 0.64627 0.931028 ] [ 0.998764 0.14627 0.568972 ] [ 0.498764 0.85373 0.431028 ] [ 0.001236 0.64627 0.931028 ] [ 0.501236 0.35373 0.068972 ] [ 0.972324 0.647251 0.484484 ] [ 0.472324 0.352749 0.515516 ] [ 0.027676 0.147251 0.015516 ] [ 0.527676 0.852749 0.984484 ] [ 0.027676 0.352749 0.515516 ] [ 0.527676 0.647251 0.484484 ] [ 0.972324 0.852749 0.984484 ] [ 0.472324 0.147251 0.015516 ] [ 0.75 0.866701 0.422188 ] [ 0.25 0.133299 0.577812 ] [ 0.25 0.366701 0.077812 ] [ 0.75 0.633299 0.922188 ] [ 0.03194 0.067582 0.423898 ] [ 0.53194 0.932418 0.576102 ] [ 0.96806 0.567582 0.076102 ] [ 0.46806 0.432418 0.923898 ] [ 0.96806 0.932418 0.576102 ] [ 0.46806 0.067582 0.423898 ] [ 0.03194 0.432418 0.923898 ] [ 0.53194 0.567582 0.076102 ] [ 0.25 0.810044 0.464992 ] [ 0.75 0.189956 0.535008 ] [ 0.75 0.310044 0.035008 ] [ 0.25 0.689956 0.964992 ] [ 0.028116 0.809591 0.310462 ] [ 0.528116 0.190409 0.689538 ] [ 0.971884 0.309591 0.189538 ] [ 0.471884 0.690409 0.810462 ] [ 0.971884 0.190409 0.689538 ] [ 0.471884 0.809591 0.310462 ] [ 0.028116 0.690409 0.810462 ] [ 0.528116 0.309591 0.189538 ] [ 0.25 0.557214 0.622269 ] [ 0.75 0.442786 0.377731 ] [ 0.75 0.057214 0.877731 ] [ 0.25 0.942786 0.122269 ] [ 0.25 0.487771 0.370203 ] [ 0.75 0.512229 0.629797 ] [ 0.75 0.987771 0.129797 ] [ 0.25 0.012229 0.870203 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "U" "U" "U" "U" "W" "W" "W" "W" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.69870281 "source-unit" "angstrom" } "b" { "source-value" 8.78572354 "source-unit" "angstrom" } "c" { "source-value" 14.34486926 "source-unit" "angstrom" } }