{ "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" [ [ -2.9749594 -1.8851712 2.1772445 ] [ 0.8121631 -0.6807272 -0.5541943 ] [ -0.0875027 -0.0812181 1.9060704 ] [ -1.4721368 -1.5664662 1.7121228 ] [ 1.3094821 2.1035758 -0.5072072 ] [ -0.7855852 0.4171358 -0.2729645 ] [ 0.2999958 -0.3345422 -1.3763209 ] [ 2.8985432 2.0274133 -3.0847507 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.766410437778659e-09 -3.020377247729741e-09 3.488330264405013e-09 ] [ 1.301228741817005e-09 -1.090645213968245e-09 -8.879171581559861e-10 ] [ -1.401947813519118e-10 -1.301257420778754e-10 3.053861457639033e-09 ] [ -2.358623183011531e-09 -2.509755543590771e-09 2.743123144698655e-09 ] [ 2.098021623261251e-09 3.370299994607858e-09 -8.126355244365646e-10 ] [ -1.258646251456217e-09 6.683252319648972e-10 -4.37337343811493e-10 ] [ 4.806462610581372e-10 -5.359956959269548e-10 -2.205109186865851e-09 ] [ 4.643978187679589e-09 3.248274216720832e-09 -4.942315493255143e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.30398 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.816538847720332e-18 } }