{ "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" [ 5.34161 0 0 ] "si-unit" "m" "si-value" [ 5.341610000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0977669 5.5284 0 ] "si-unit" "m" "si-value" [ -9.776690000000001e-12 5.5284e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.072801 -0.0524088 5.47046 ] "si-unit" "m" "si-value" [ -7.280100000000001e-12 -5.24088e-12 5.470460000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0796719 -0.127908 0.00668105 ] [ 1.22031 1.46092 1.38882 ] [ -0.251468 2.67688 2.66146 ] [ 1.14494 4.10147 3.98362 ] [ 2.6636 -0.086404 2.79747 ] [ 4.00012 1.38046 4.02333 ] [ 2.71061 2.85329 -0.00699576 ] [ 4.09739 4.08725 1.448 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.967190000000001e-12 -1.27908e-11 6.68105e-13 ] [ 1.22031e-10 1.46092e-10 1.38882e-10 ] [ -2.51468e-11 2.67688e-10 2.66146e-10 ] [ 1.14494e-10 4.10147e-10 3.98362e-10 ] [ 2.663600000000001e-10 -8.6404e-12 2.79747e-10 ] [ 4.00012e-10 1.38046e-10 4.02333e-10 ] [ 2.71061e-10 2.85329e-10 -6.99576e-13 ] [ 4.09739e-10 4.08725e-10 1.448e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1700742 2.3559104 -1.1286743 ] [ 1.4234264 -1.7955656 -0.8346048 ] [ 4.0639065 -0.0182252 1.0667671 ] [ -0.0834158 -1.05174 1.6272831 ] [ -0.0860001 1.1230829 -2.1212489 ] [ -2.0917036 -1.4874444 2.7298754 ] [ -1.016896 -0.7767149 -0.4577905 ] [ -4.3793916 1.6506968 -0.881607 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.476842148641264e-09 3.774584563579577e-09 -1.808335575957805e-09 ] [ 2.280580499509509e-09 -2.876813225432724e-09 -1.33718429816746e-09 ] [ 6.511095983417155e-09 -2.919998934940416e-11 1.709149307458616e-09 ] [ -1.336468445653286e-10 -1.685073239160192e-09 2.607194938242949e-09 ] [ -1.377873496064621e-10 1.799377165600264e-09 -3.398615394477717e-09 ] [ -3.351278605563195e-09 -2.383148642419884e-09 4.373742543577048e-09 ] [ -1.629246996985037e-09 -1.24443445380701e-09 -7.334612363243423e-10 ] [ -7.016558834847905e-09 2.644707820989373e-09 -1.412490124133626e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -32.956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.280133271508481e-18 } }