{ "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" [ 5.4419 0 0 ] "si-unit" "m" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.361794 5.44502 0 ] "si-unit" "m" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0366443 0.298499 5.53333 ] "si-unit" "m" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.128377 -0.150066 -0.170326 ] [ 1.39649 1.37402 1.31098 ] [ -0.0542726 2.97617 3.14736 ] [ 1.41657 4.24499 4.02908 ] [ 2.7363 -0.234712 2.6251 ] [ 4.24505 1.08558 3.99518 ] [ 2.94651 2.56191 -0.00354123 ] [ 4.33312 3.8007 1.43779 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.28377e-11 -1.50066e-11 -1.70326e-11 ] [ 1.39649e-10 1.37402e-10 1.31098e-10 ] [ -5.42726e-12 2.97617e-10 3.14736e-10 ] [ 1.41657e-10 4.24499e-10 4.02908e-10 ] [ 2.7363e-10 -2.34712e-11 2.6251e-10 ] [ 4.24505e-10 1.08558e-10 3.99518e-10 ] [ 2.94651e-10 2.56191e-10 -3.54123e-13 ] [ 4.33312e-10 3.8007e-10 1.43779e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8928966999999999 -0.04660729999999999 4.3106222999999995 ] [ -0.49267949999999994 -1.2158273999999998 0.22242489999999998 ] [ 0.45085919999999996 -3.9654193999999996 -2.1989116999999996 ] [ 4.110855199999999 -1.1026931999999998 1.1498411999999998 ] [ -1.8659461999999998 2.6270957999999998 1.0012420999999998 ] [ -2.4567328999999996 2.8601330999999997 -0.14195639999999998 ] [ -0.6844931999999999 -0.49142839999999993 -1.0091241999999998 ] [ 0.045240699999999995 1.3347468999999998 -3.3341381999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.430578217529471e-09 -7.467312641861183e-11 6.906378270159123e-09 ] [ -7.893595764474335e-10 -1.94797023520805e-09 3.563639746637779e-10 ] [ 7.223560695125913e-10 -6.353302254346762e-09 -3.523044916943583e-09 ] [ 6.586316092934106e-09 -1.766709264955138e-09 1.842248688272617e-09 ] [ -2.989575377310601e-09 4.209071471361873e-09 1.604166684380695e-09 ] [ -3.936120015930184e-09 4.582438385196228e-09 -2.274392252529331e-10 ] [ -1.096679002136578e-09 -7.873550932771506e-10 -1.616795200723503e-09 ] [ 7.248359184862655e-11 2.138500277865275e-09 -5.341878274556193e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.874005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.26699622430623e-18 } }