{ "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" [ 5.55154 0 0 ] "si-unit" "m" "si-value" [ 5.55154e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.061684 5.43974 0 ] "si-unit" "m" "si-value" [ 6.1684e-12 5.43974e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.265567 0.0876051 5.42724 ] "si-unit" "m" "si-value" [ 2.65567e-11 8.760510000000001e-12 5.427240000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0647023 0.102264 0.485367 ] [ 1.35693 1.92881 1.38138 ] [ 0.0777781 2.73495 2.46621 ] [ 1.63547 4.09153 3.75722 ] [ 2.82757 -0.0639025 2.36092 ] [ 4.37612 1.31575 3.25969 ] [ 2.62065 2.47384 -0.106223 ] [ 4.18903 3.98589 0.601522 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.470230000000001e-12 1.02264e-11 4.85367e-11 ] [ 1.35693e-10 1.92881e-10 1.38138e-10 ] [ 7.77781e-12 2.73495e-10 2.46621e-10 ] [ 1.63547e-10 4.09153e-10 3.75722e-10 ] [ 2.82757e-10 -6.390250000000001e-12 2.36092e-10 ] [ 4.37612e-10 1.31575e-10 3.25969e-10 ] [ 2.62065e-10 2.47384e-10 -1.06223e-11 ] [ 4.18903e-10 3.98589e-10 6.01522e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9990760999999995 3.9537230999999995 -7.177864499999999 ] [ 10.033552999999998 -12.214478099999997 -1.9752642999999999 ] [ -8.152128599999998 12.462653299999998 8.083694499999998 ] [ -1.1063970999999997 -1.8067669999999998 2.2631672999999997 ] [ -1.7970475999999997 -0.4217197999999999 -1.6842261999999997 ] [ -2.5537226999999993 -3.9763139999999995 6.2988523999999995 ] [ 5.333246699999999 3.4573691999999996 -8.896712599999999 ] [ -4.756579799999999 -1.4544667999999998 3.0883533999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.805049651007846e-09 6.334562768126044e-09 -1.150020678391809e-08 ] [ 1.60755241726006e-08 -1.956975140832471e-08 -3.164722307434365e-09 ] [ -1.306114996028313e-08 1.996737191490299e-08 1.295150644429431e-08 ] [ -1.772643581545361e-09 -2.894759870482277e-09 3.625993766892868e-09 ] [ -2.879187674905778e-09 -6.75669609655153e-10 -2.69842786401061e-09 ] [ -4.09151483965539e-09 -6.370757380247074e-09 1.009187413629482e-08 ] [ 8.544803246097606e-09 5.539316147351272e-09 -1.425410504713339e-08 ] [ -7.620881013316391e-09 -2.330312721888751e-09 4.948087655014455e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.597284 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.300048714866205e-18 } }