{ "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" [ 5.43808 0 0 ] "si-unit" "m" "si-value" [ 5.438080000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.036104 5.43472 0 ] "si-unit" "m" "si-value" [ -3.6104e-12 5.434720000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0778792 -0.0548884 5.50823 ] "si-unit" "m" "si-value" [ 7.78792e-12 -5.48884e-12 5.50823e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0442028 -0.0162787 0.186746 ] [ 1.46625 1.46109 1.35616 ] [ 0.0256733 2.72542 2.65757 ] [ 1.37985 4.00669 4.1027 ] [ 2.74744 0.0130417 2.60748 ] [ 4.13581 1.33996 3.97093 ] [ 2.70334 2.70384 0.0742117 ] [ 4.06803 4.03744 1.33105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.42028e-12 -1.62787e-12 1.86746e-11 ] [ 1.46625e-10 1.46109e-10 1.35616e-10 ] [ 2.56733e-12 2.72542e-10 2.65757e-10 ] [ 1.37985e-10 4.00669e-10 4.1027e-10 ] [ 2.74744e-10 1.30417e-12 2.60748e-10 ] [ 4.13581e-10 1.33996e-10 3.97093e-10 ] [ 2.70334e-10 2.70384e-10 7.42117e-12 ] [ 4.068030000000001e-10 4.03744e-10 1.33105e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3440055 1.3789545 -2.9652746 ] [ -1.9850967 -1.9129443 0.6769962 ] [ 0.1112569 0.1237068 0.6052222 ] [ 0.1916222 0.7678619 0.4397009 ] [ -0.0233626 -0.6416303 1.3932628 ] [ -0.0706559 -0.408636 1.6843458 ] [ 0.9583835 0.9585229 -3.0013439 ] [ -0.5261529 -0.2658356 1.1670907 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.153334208067487e-09 2.209328679249153e-09 -4.750893677513696e-09 ] [ -3.180475548970508e-09 -3.064874659603486e-09 1.084667492946791e-09 ] [ 1.782532055512746e-10 1.982001444269112e-10 9.696728672180747e-10 ] [ 3.070126113956748e-10 1.230250394318844e-09 7.044785079287706e-10 ] [ -3.74310118294884e-11 -1.02800507432641e-09 2.232253103181415e-09 ] [ -1.132032320342406e-10 -6.54707051011224e-10 2.698619484336037e-09 ] [ 1.535499650111139e-09 1.535722993533918e-09 -4.808683067178432e-09 ] [ -8.429898822913385e-10 -4.259155868053703e-10 1.869885449298704e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.014465 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.770153430901081e-18 } }