{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6926975 0.0909787 0.3168911 ] [ 0.6050445 -0.5363658 -0.3330725 ] [ 0.1004056 0.0673471 1.1823967 ] [ -0.9183819 -0.8874209 1.0707386 ] [ 0.7073863 1.2162615 -0.4264864 ] [ -0.5522364 0.0964554 -0.340486 ] [ 0.1290917 0.0011397 -0.8273385 ] [ 0.6213878 -0.0483956 -0.6426431 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.109823739786608e-09 1.45763946130777e-10 5.077155117595949e-10 ] [ 9.693881524436257e-10 -8.593527449566887e-10 -5.33640972531408e-10 ] [ 1.608675049173965e-10 1.079019490986797e-10 1.894408349251071e-09 ] [ -1.471410009145884e-09 -1.421805018789295e-09 1.715512351908123e-09 ] [ 1.133357791734215e-09 1.948665740079139e-09 -6.833065391691571e-10 ] [ -8.847802492347571e-10 1.545385868299123e-10 -5.455187089097088e-10 ] [ 2.068277036793274e-10 1.82600069472576e-12 -1.325542402187741e-09 ] [ 9.955730056103463e-10 -7.753829886958848e-11 -1.029627750338437e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -37.059072 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.93751787469439e-18 } }