{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.43385e-10 0.0 0.0 ] "source-value" [ 5.43385 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.31251e-12 5.415630000000001e-10 0.0 ] "source-value" [ 0.0231251 5.41563 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.581680000000001e-12 8.29392e-12 5.41654e-10 ] "source-value" [ -0.0358168 0.0829392 5.41654 ] } "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" [ [ 4.138903986036275e-09 -5.186628641741972e-09 -1.620881071541867e-09 ] [ 2.199455087403612e-09 3.868016935180488e-09 2.797529675570099e-09 ] [ 2.236227604333565e-09 -5.871429370827687e-10 -1.094533687641327e-09 ] [ -2.612223529784991e-09 1.421435877295862e-09 1.130227459052496e-09 ] [ -7.190376412955904e-11 1.476264123653921e-09 -5.819305758823199e-10 ] [ -5.292760345892328e-09 3.055676217937285e-09 -3.76717097191981e-09 ] [ 2.570669957600909e-10 -3.603837396747679e-09 1.822956078493254e-09 ] [ -8.547660337266624e-10 -4.437841784951367e-10 1.313803093869477e-09 ] ] "source-value" [ [ 2.5833007 -3.237239 -1.0116744 ] [ 1.3727919 2.4142263 1.7460807 ] [ 1.3957435 -0.3664658 -0.6831542 ] [ -1.6304217 0.8871905 0.7054325 ] [ -0.0448788 0.9214116 -0.3632125 ] [ -3.3034812 1.9072031 -2.3512832 ] [ 0.1604486 -2.2493384 1.1377997 ] [ -0.533503 -0.2769883 0.8200114 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.33361e-11 7.45448e-12 1.00028e-11 ] [ 1.34132e-10 1.25343e-10 1.22744e-10 ] [ -6.90566e-12 2.71113e-10 2.67907e-10 ] [ 1.35774e-10 4.108290000000001e-10 3.9369e-10 ] [ 2.76453e-10 -1.5077e-12 2.69424e-10 ] [ 4.18319e-10 1.35081e-10 4.129380000000001e-10 ] [ 2.74151e-10 2.8117e-10 -1.50387e-11 ] [ 4.06649e-10 4.0541e-10 1.2862e-10 ] ] "source-value" [ [ -0.133361 0.0745448 0.100028 ] [ 1.34132 1.25343 1.22744 ] [ -0.0690566 2.71113 2.67907 ] [ 1.35774 4.10829 3.9369 ] [ 2.76453 -0.015077 2.69424 ] [ 4.18319 1.35081 4.12938 ] [ 2.74151 2.8117 -0.150387 ] [ 4.06649 4.0541 1.2862 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.715157389111731e-18 "source-value" -35.671207 } }