{ "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" [ 5.36644 0 0 ] "si-unit" "m" "si-value" [ 5.366440000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.227231 5.37948 0 ] "si-unit" "m" "si-value" [ -2.27231e-11 5.379480000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0350261 -0.0899265 5.39939 ] "si-unit" "m" "si-value" [ -3.50261e-12 -8.992650000000001e-12 5.399390000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00104229 0.0077963 0.00224549 ] [ 1.32493 1.37357 1.36608 ] [ -0.0958533 2.66355 2.80902 ] [ 1.19786 4.07015 4.22336 ] [ 2.70129 0.113781 2.60003 ] [ 3.9906 1.45175 3.98519 ] [ 2.48193 2.86985 0.00162227 ] [ 4.00824 4.16333 1.43322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04229e-13 7.7963e-13 2.24549e-13 ] [ 1.32493e-10 1.37357e-10 1.36608e-10 ] [ -9.58533e-12 2.66355e-10 2.80902e-10 ] [ 1.19786e-10 4.07015e-10 4.22336e-10 ] [ 2.70129e-10 1.13781e-11 2.60003e-10 ] [ 3.9906e-10 1.45175e-10 3.98519e-10 ] [ 2.48193e-10 2.86985e-10 1.62227e-13 ] [ 4.00824e-10 4.16333e-10 1.43322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.1330072 20.198024 -9.3073922 ] [ -12.1089388 8.00966 -5.6755393 ] [ 29.7336323 27.8071305 -25.8097238 ] [ -14.799336 15.1750764 -29.5642964 ] [ 5.0253559 -10.1911538 10.7232584 ] [ -26.3076719 -25.1029279 30.5165699 ] [ 26.5796462 -19.8875251 18.5510912 ] [ -12.255695 -16.0082841 10.5660322 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.621807563993764e-09 3.236080210577121e-08 -1.491208630631385e-08 ] [ -1.9400658807896e-08 1.283289009828444e-08 -9.093216451808714e-09 ] [ 4.763853091500767e-08 4.455193474568873e-08 -4.135173640235369e-08 ] [ -2.371115033791502e-08 2.431315282724483e-08 -4.736722489273031e-08 ] [ 8.05150780051404e-09 -1.632802849186031e-08 1.718055404882422e-08 ] [ -4.214953721311838e-08 -4.021932452636668e-08 4.889293524360771e-08 ] [ 4.258528808162688e-08 -3.186332802330851e-08 2.972212485584301e-08 ] [ -1.963578816243063e-08 -2.564809873545372e-08 1.692864990493161e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -26.378929 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.226370367374498e-18 } }