{ "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" [ 5.46438 0 0 ] "si-unit" "m" "si-value" [ 5.46438e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0372754 5.43203 0 ] "si-unit" "m" "si-value" [ 3.72754e-12 5.432030000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.17857 -0.0223871 5.50346 ] "si-unit" "m" "si-value" [ 1.7857e-11 -2.23871e-12 5.503459999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00726127 0.010583 0.00336114 ] [ 1.28417 1.2786 1.26313 ] [ 0.0794421 2.71348 2.73185 ] [ 1.57701 4.05847 4.12903 ] [ 2.78941 -0.159624 2.68623 ] [ 4.22148 1.3448 3.91745 ] [ 2.73822 2.68922 0.00939316 ] [ 4.14349 4.04668 1.21083 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.26127e-13 1.0583e-12 3.36114e-13 ] [ 1.28417e-10 1.2786e-10 1.26313e-10 ] [ 7.944210000000001e-12 2.71348e-10 2.73185e-10 ] [ 1.57701e-10 4.05847e-10 4.12903e-10 ] [ 2.78941e-10 -1.59624e-11 2.68623e-10 ] [ 4.22148e-10 1.3448e-10 3.91745e-10 ] [ 2.73822e-10 2.68922e-10 9.39316e-13 ] [ 4.14349e-10 4.04668e-10 1.21083e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.2119192 -1.8756906 -7.1317758 ] [ 5.7934307 3.1527275 5.8334429 ] [ 2.6211423 3.9620912 -3.6320308 ] [ -2.9689191 -2.9453642 1.7427483 ] [ 0.5781314 4.7716725 -2.8719001 ] [ -2.5730887 -3.8617994 5.3609149 ] [ -0.977782 -1.8640344 -2.9322014 ] [ 1.7390046 -1.3396026 3.630802 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.748238470938639e-09 -3.005187627174324e-09 -1.142636445154722e-08 ] [ 9.282099221764978e-09 5.051226292253232e-09 9.34620583315175e-09 ] [ 4.19953291284994e-09 6.347969890117417e-09 -5.81915483378552e-09 ] [ -4.756732771066577e-09 -4.718993660981296e-09 2.792190582198945e-09 ] [ 9.262686128303731e-10 7.645062121614289e-09 -4.601291197493182e-09 ] [ -4.122542558384665e-09 -6.187284712899468e-09 8.58913251887837e-09 ] [ -1.566579460639066e-09 -2.986512336046955e-09 -4.697904530557029e-09 ] [ 2.786192513583655e-09 -2.146279966882894e-09 5.817186079153882e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.010189 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.609250630558933e-18 } }