{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.400000000000001e-10 0.0 0.0 ] "source-value" [ 5.4 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.86566e-11 5.8038e-10 0.0 ] "source-value" [ 0.386566 5.8038 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.33064e-11 -2.20286e-11 5.20849e-10 ] "source-value" [ -0.433064 -0.220286 5.20849 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -2.742032360255194e-10 -3.488005154029025e-09 6.313287733024621e-09 ] [ -2.098492966337927e-09 -3.384374127148412e-09 -1.22355131523088e-08 ] [ 6.24902875464121e-09 -1.317955951692357e-08 1.788003441943335e-08 ] [ 7.598164329093865e-09 4.448476232271926e-09 3.699154088272313e-09 ] [ 4.337902012787415e-09 -1.015213255672891e-08 6.397816969361409e-09 ] [ 1.328283085515281e-09 2.06631020477358e-09 -5.021863681976817e-09 ] [ -3.990691914028916e-09 5.517780925318502e-10 -6.487638355294362e-09 ] [ -1.314999006564541e-08 2.313750698547022e-08 -1.054527818072938e-08 ] ] "source-value" [ [ -0.17114420000000002 -2.1770416000000004 3.9404443000000007 ] [ -1.3097763000000002 -2.1123602000000004 -7.636806700000002 ] [ 3.900337000000001 -8.226034100000001 11.159839800000002 ] [ 4.742401200000001 2.7765205000000006 2.3088304000000006 ] [ 2.7075055000000003 -6.336462800000001 3.9932033000000007 ] [ 0.8290491000000002 1.2896894000000003 -3.1344008000000008 ] [ -2.4907940000000006 0.34439280000000005 -4.049265400000001 ] [ -8.207578300000002 14.441296100000004 -6.581845000000002 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -9.90081e-12 -2.44555e-11 -2.90689e-11 ] [ 1.37678e-10 1.31208e-10 1.41317e-10 ] [ 1.46167e-11 2.66383e-10 2.23753e-10 ] [ 1.10278e-10 3.83154e-10 3.71513e-10 ] [ 2.55958e-10 4.22069e-11 2.77183e-10 ] [ 3.95966e-10 1.45431e-10 4.356900000000001e-10 ] [ 2.78855e-10 2.68274e-10 3.81413e-11 ] [ 4.33575e-10 3.68618e-10 1.46711e-10 ] ] "source-value" [ [ -0.0990081 -0.244555 -0.290689 ] [ 1.37678 1.31208 1.41317 ] [ 0.146167 2.66383 2.23753 ] [ 1.10278 3.83154 3.71513 ] [ 2.55958 0.422069 2.77183 ] [ 3.95966 1.45431 4.3569 ] [ 2.78855 2.68274 0.381413 ] [ 4.33575 3.68618 1.46711 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.466059820418604e-18 "source-value" -21.633444 } }