{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.39198 0 0 ] "si-unit" "m" "si-value" [ 5.39198e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0815956 5.53401 0 ] "si-unit" "m" "si-value" [ 8.15956e-12 5.534010000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109849 -0.0410552 5.55668 ] "si-unit" "m" "si-value" [ -1.09849e-11 -4.10552e-12 5.55668e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0600222 -0.0188866 -0.0475744 ] [ 1.35953 1.30974 1.45574 ] [ -0.0201429 2.70129 2.75612 ] [ 1.43727 3.87805 4.08993 ] [ 2.67575 -0.0837777 2.76281 ] [ 3.98871 1.3119 4.2787 ] [ 2.73779 2.77507 0.256836 ] [ 4.26747 4.05038 1.42682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.00222e-12 -1.88866e-12 -4.75744e-12 ] [ 1.35953e-10 1.30974e-10 1.45574e-10 ] [ -2.01429e-12 2.70129e-10 2.75612e-10 ] [ 1.43727e-10 3.87805e-10 4.08993e-10 ] [ 2.67575e-10 -8.37777e-12 2.76281e-10 ] [ 3.98871e-10 1.3119e-10 4.2787e-10 ] [ 2.73779e-10 2.77507e-10 2.56836e-11 ] [ 4.26747e-10 4.05038e-10 1.42682e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.5234126000000003 -1.6639644000000005 -0.9826041000000002 ] [ -0.6252361000000001 -1.6073427000000005 -1.0532537000000002 ] [ -1.1309258000000002 -2.1014700000000004 2.0747316000000002 ] [ 0.7193378000000001 1.4514269000000002 1.1923608000000003 ] [ 0.3198713000000001 -0.4872952000000001 0.9819203000000002 ] [ -1.5953800000000005 1.8405831000000004 -0.9973256000000003 ] [ -0.5984738000000001 0.09024910000000001 -0.4730954000000001 ] [ 0.38739420000000013 2.4778131000000005 -0.7427340000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.042952672352142e-09 -2.6659648595235e-09 -1.574305316522226e-09 ] [ -1.001738661900171e-09 -2.575246895553549e-09 -1.687498453911097e-09 ] [ -1.811942876619537e-09 -3.366926103312576e-09 3.324086463954978e-09 ] [ 1.152506205617706e-09 2.32544224598022e-09 1.910372597318385e-09 ] [ 5.124903185249032e-10 -7.807329768680603e-10 1.573209748148923e-09 ] [ -2.556080537291905e-09 2.948939211459589e-09 -1.597891759645333e-09 ] [ -9.588607305213352e-10 1.445949980682413e-10 -7.579823892880244e-10 ] [ 6.206739302735196e-10 3.969894219531974e-09 -1.189991050273267e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -216.18873 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.463725288864436e-17 } }