{ "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" [ [ 1.7832247 -1.9621486 2.9174868 ] [ -1.6302596 1.0831647 -0.5846067 ] [ 0.4820989 0.3737445 1.1651287 ] [ -1.7865864 0.3611906 -2.8200483 ] [ 0.4277674 0.4164257 1.519128 ] [ -2.0794751 1.9159678 -2.6434461 ] [ 1.3180338 -1.4569776 0.5592784 ] [ 1.4851963 -0.7313671 -0.1129208 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.857040923973094e-09 -3.143708613455451e-09 4.674329142452606e-09 ] [ -2.61196381695476e-09 1.735421158815846e-09 -9.366431871030395e-10 ] [ 7.724075864933972e-10 5.988047000525856e-10 1.866741963363097e-09 ] [ -2.862426961119238e-09 5.786911349727244e-10 -4.518215455786784e-09 ] [ 6.85358927420402e-10 6.671875208402745e-10 2.433911365602662e-09 ] [ -3.331686388755742e-09 3.06971881536561e-09 -4.235267539764939e-09 ] [ 2.111722939784183e-09 -2.334335447749294e-09 8.960627769984307e-10 ] [ 2.379546789158663e-09 -1.171779268842296e-09 -1.809190657620326e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.700843 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.637075992705133e-18 } }