{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3568038 3.0604398 -1.1125308 ] [ 3.1170112 5.2667612 2.4342114 ] [ 3.0332378 -2.8007413 3.437677 ] [ -0.4824573 -0.6270315 -9.7546441 ] [ -0.321019 2.6191013 6.8756457 ] [ -1.8260993 0.4978035 -3.7281037 ] [ -0.4755785 -6.2559195 1.2540582 ] [ -1.6882912 -1.7604134 0.5936865 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.173839327372599e-09 4.903365096925829e-09 -1.782470837679921e-09 ] [ 4.994002471411753e-09 8.438281661976553e-09 3.900036595164838e-09 ] [ 4.859782688486827e-09 -4.487282231768999e-09 5.507765719261882e-09 ] [ -7.729818065942919e-10 -1.004615209805155e-09 -1.562866272124466e-08 ] [ -5.143291366325952e-10 4.196262870366887e-09 1.101599879344405e-08 ] [ -2.925733605719245e-09 7.975691294524129e-10 -5.973080588057978e-09 ] [ -7.619607540551329e-10 -1.002308796450682e-08 2.009222729162531e-09 ] [ -2.704940689742377e-09 -2.820493192423039e-09 9.511906303845792e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -13.236672 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.120748641559798e-18 } }