{ "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" [ 5.46856 0 0 ] "si-unit" "m" "si-value" [ 5.46856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.109414 5.47364 0 ] "si-unit" "m" "si-value" [ 1.09414e-11 5.47364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0853482 0.188746 5.50226 ] "si-unit" "m" "si-value" [ 8.53482e-12 1.88746e-11 5.50226e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.111998 0.00598912 -0.142628 ] [ 1.42992 1.39997 1.14788 ] [ 0.0344059 2.83471 2.60329 ] [ 1.5648 4.17845 4.01026 ] [ 2.81953 0.00757671 2.62729 ] [ 4.17997 1.38562 3.91338 ] [ 2.81257 2.67111 -0.166315 ] [ 4.15871 3.96748 1.06238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.11998e-11 5.98912e-13 -1.42628e-11 ] [ 1.42992e-10 1.39997e-10 1.14788e-10 ] [ 3.44059e-12 2.83471e-10 2.60329e-10 ] [ 1.5648e-10 4.17845e-10 4.01026e-10 ] [ 2.81953e-10 7.576710000000001e-13 2.62729e-10 ] [ 4.17997e-10 1.38562e-10 3.91338e-10 ] [ 2.81257e-10 2.67111e-10 -1.66315e-11 ] [ 4.15871e-10 3.96748e-10 1.06238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.481708 -1.3425775 -0.5769757 ] [ -0.0134488 -0.0397246 2.4130333 ] [ 1.6072438 -0.8534259 -0.2801865 ] [ -1.1062639 0.0663995 -0.886517 ] [ -0.2902253 -0.4462614 -2.1220108 ] [ 0.4453561 0.9420201 1.034022 ] [ -0.0263115 -1.2563966 -1.291663 ] [ 0.8653576 2.9299662 1.7102977 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.373957916452326e-09 -2.151046282112112e-09 -9.244169773097145e-10 ] [ -2.154735293781504e-11 -6.364582539063168e-11 3.866105538471873e-09 ] [ 2.575088440285751e-09 -1.367339024565199e-09 -4.489082597637792e-10 ] [ -1.772430157015029e-09 1.063837265328096e-10 -1.420356811341754e-09 ] [ -4.649921904246663e-10 -7.149895818454771e-10 -3.399836092845105e-09 ] [ 7.135391313506669e-10 1.509282580543678e-09 1.656685873792858e-09 ] [ -4.21556701581792e-11 -2.012969258972609e-09 -2.06947226055239e-09 ] [ 1.386455715351598e-09 4.694323345374217e-09 2.740198989548012e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.353778 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.824517318935338e-18 } }