{ "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" [ [ 3.2470823 -2.4927594 -5.8688793 ] [ 0.478237 0.6936432 1.7874184 ] [ -0.3501677 0.5971946 0.4271548 ] [ 1.4428684 -2.3994767 7.88345 ] [ -1.1042925 0.364568 1.5775737 ] [ 0.6014864 0.6660919 0.6432407 ] [ -4.1816801 5.9318727 -6.3527495 ] [ -0.1335338 -3.3611342 -0.0972088 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.202399389734978e-09 -3.99384086486386e-09 -9.402981282226275e-09 ] [ 7.66220146914258e-10 1.111338927372989e-09 2.863759995661666e-09 ] [ -5.610305069215218e-10 9.568112340709764e-10 6.843774396609432e-10 ] [ 2.311730036416965e-09 -3.844385502567428e-09 1.26306793853073e-08 ] [ -1.769271640601445e-09 5.841023311041119e-10 2.527551720552926e-09 ] [ 9.636874557487775e-10 1.067196878276664e-09 1.030585219577804e-09 ] [ -6.699790147082784e-09 9.503907835802492e-09 -1.017822681055518e-08 ] [ -2.139447342092292e-10 -5.385130678978283e-09 -1.557456679791792e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.190828 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.638192235271295e-18 } }