{ "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" [ 5.23298 0 0 ] "si-unit" "m" "si-value" [ 5.23298e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.924429 5.53043 0 ] "si-unit" "m" "si-value" [ -9.24429e-11 5.53043e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.629107 -0.473789 5.46851 ] "si-unit" "m" "si-value" [ -6.29107e-11 -4.73789e-11 5.46851e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.204863 0.0604192 -0.0594365 ] [ 1.57212 1.62558 1.26329 ] [ -0.456749 2.61396 2.82457 ] [ 0.563094 3.85296 4.15247 ] [ 2.57153 0.0726254 2.31215 ] [ 3.48703 1.34311 4.10214 ] [ 2.49706 2.93083 0.328276 ] [ 3.43659 4.115 1.72734 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04863e-11 6.04192e-12 -5.94365e-12 ] [ 1.57212e-10 1.62558e-10 1.26329e-10 ] [ -4.56749e-11 2.61396e-10 2.82457e-10 ] [ 5.63094e-11 3.85296e-10 4.15247e-10 ] [ 2.57153e-10 7.262540000000001e-12 2.31215e-10 ] [ 3.48703e-10 1.34311e-10 4.102140000000001e-10 ] [ 2.49706e-10 2.93083e-10 3.28276e-11 ] [ 3.43659e-10 4.115e-10 1.72734e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9220099 1.4611558 -1.2590977 ] [ -16.0133239 -11.1846129 3.7696066 ] [ 2.7643249 -0.904062 -1.9215862 ] [ 1.0858442 3.9930581 3.4342961 ] [ 2.1905623 -3.3133943 7.7067378 ] [ -1.0172536 -3.0324269 2.4109864 ] [ 4.1668237 4.152674 -12.721778 ] [ 4.9010124 8.8276083 -1.419165 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.079399326726146e-09 2.341029662106321e-09 -2.017296898243052e-09 ] [ -2.565617317387788e-08 -1.791972530107809e-08 6.039575564133377e-09 ] [ 4.428936727075299e-09 -1.44846700015369e-09 -3.078720484491913e-09 ] [ 1.739714191071279e-09 6.397584333316068e-09 5.502348920324619e-09 ] [ 3.509667703465876e-09 -5.308642882951981e-09 1.234755512579563e-08 ] [ -1.629819935344635e-09 -4.85848348346502e-09 3.862826043146758e-09 ] [ 6.675987515135353e-09 6.65331719660402e-09 -2.038253528660778e-08 ] [ 7.852287485530898e-09 1.414338763584003e-08 -2.273752984057632e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.278331 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.210252756184389e-18 } }