{ "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" [ [ 2.4725189999999997 -0.49416089999999996 6.684487999999999 ] [ -0.4303488999999999 -0.8081694999999999 0.6618291999999999 ] [ 1.5818148999999997 -4.800905799999999 -3.3051143999999995 ] [ 3.7347863999999995 -0.49860989999999994 1.0486024999999999 ] [ -1.6861843999999997 2.1173686999999997 0.37407499999999994 ] [ -3.8508317999999995 3.4957463999999994 -1.8631448999999998 ] [ -1.3892720999999997 -0.6625641999999999 -0.6077120999999999 ] [ -0.43248309999999995 1.6512952999999997 -2.9930231999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.961412136283795e-09 -7.917330408934867e-10 1.070973039561815e-08 ] [ -6.89494946366997e-10 -1.294830278543625e-09 1.060367271202767e-09 ] [ 2.53434685121309e-09 -7.691899031423119e-09 -5.295377020749419e-09 ] [ 5.983787453761796e-09 -7.988611246794259e-10 1.680046410012432e-09 ] [ -2.701565224037675e-09 3.392398628753689e-09 5.993342194257599e-10 ] [ -6.169712680593181e-09 5.600803154325764e-09 -2.985087199942754e-09 ] [ -2.225859278549719e-09 -1.061544871019055e-09 -9.736621187972714e-10 ] [ -6.929143117111084e-10 2.645666723696922e-09 -4.795351796552002e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -37.685133 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.037823904433857e-18 } }