{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] "source-value" [ 5.47613 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] "source-value" [ -0.0968569 5.44973 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] "source-value" [ -0.0334568 0.0277585 5.60527 ] } "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" [ [ -2.173839647807923e-09 4.903364776490504e-09 -1.782468915067976e-09 ] [ 4.994002150976429e-09 8.438281341541228e-09 3.900035473641202e-09 ] [ 4.859782848704488e-09 -4.487282231768999e-09 5.507765719261882e-09 ] [ -7.729818065942919e-10 -1.004615209805155e-09 -1.562866288146232e-08 ] [ -5.143280151089606e-10 4.196262069278577e-09 1.101599799235574e-08 ] [ -2.925733605719245e-09 7.975689692347507e-10 -5.973080748275639e-09 ] [ -7.619612347081191e-10 -1.002308844515981e-08 2.009223209815517e-09 ] [ -2.704940529524715e-09 -2.820491269811094e-09 9.51190149731593e-10 ] ] "source-value" [ [ -1.356804 3.0604396 -1.1125296 ] [ 3.117011 5.266761 2.4342107 ] [ 3.0332379 -2.8007413 3.437677 ] [ -0.4824573 -0.6270315 -9.7546442 ] [ -0.3210183 2.6191008 6.8756452 ] [ -1.8260993 0.4978034 -3.7281038 ] [ -0.4755788 -6.2559198 1.2540585 ] [ -1.6882911 -1.7604122 0.5936862 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.12074880177746e-18 "source-value" -13.236673 } }