{ "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" [ 5.41643 0 0 ] "si-unit" "m" "si-value" [ 5.41643e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0584288 5.39313 0 ] "si-unit" "m" "si-value" [ 5.84288e-12 5.39313e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0447548 0.203328 5.3475 ] "si-unit" "m" "si-value" [ -4.47548e-12 2.03328e-11 5.3475e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0133581 0.0277146 -0.124532 ] [ 1.5025 1.22494 1.34546 ] [ 0.0458685 2.70233 2.56072 ] [ 1.46199 4.10879 4.17844 ] [ 2.74075 -0.0340431 2.6907 ] [ 4.13695 1.41216 4.09761 ] [ 2.75898 2.67415 0.0540851 ] [ 4.02257 4.13506 1.27654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.33581e-12 2.77146e-12 -1.24532e-11 ] [ 1.5025e-10 1.22494e-10 1.34546e-10 ] [ 4.58685e-12 2.70233e-10 2.56072e-10 ] [ 1.46199e-10 4.10879e-10 4.17844e-10 ] [ 2.74075e-10 -3.40431e-12 2.6907e-10 ] [ 4.13695e-10 1.41216e-10 4.09761e-10 ] [ 2.75898e-10 2.67415e-10 5.40851e-12 ] [ 4.02257e-10 4.13506e-10 1.27654e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 11.6179664 -11.717483 14.512853 ] [ -5.2403309 3.070997 -3.486468 ] [ 0.8760456 0.6853258 2.2595694 ] [ -7.2501781 4.628407 -9.5251496 ] [ 1.6345629 0.8112644 6.8862072 ] [ -13.3937538 11.6616349 -12.724691 ] [ 6.8655952 -7.4600237 4.1006825 ] [ 4.8900927 -1.6801225 -2.0230035 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.861403414731994e-08 -1.877347731722144e-08 2.325215377770714e-08 ] [ -8.395935653235823e-09 4.920279595946938e-09 -5.585937518767334e-09 ] [ 1.403579779074708e-09 1.098012974391057e-09 3.620229265755084e-09 ] [ -1.161606584845617e-08 7.415525486947066e-09 -1.526097199874247e-08 ] [ 2.618858463607048e-09 1.299788854967339e-09 1.103292018182463e-08 ] [ -2.145915920311116e-08 1.868399879708535e-08 -2.038720242710418e-08 ] [ 1.09998961173167e-08 -1.195227556275391e-08 6.570017630823695e-09 ] [ 7.83479219748475e-09 -2.691852989580048e-09 -3.241208911496573e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.331221 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.1800326408118e-18 } }