{ "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" [ [ 5.41119131908992e-09 -6.494234516442195e-09 -1.697008493679179e-09 ] [ 2.684779059363892e-09 4.297199516824301e-09 3.208217050738721e-09 ] [ 2.806559382787265e-09 -7.859051234353268e-10 -1.297230178903922e-09 ] [ -3.464150666757258e-09 2.345309075860478e-09 1.811852674075786e-09 ] [ -6.452333752584384e-11 9.942456022800135e-10 -7.859527080809645e-10 ] [ -6.524302565084748e-09 3.833552674108121e-09 -4.779555616812211e-09 ] [ 4.59806585573785e-10 -3.942790037420237e-09 1.964010907100176e-09 ] [ -1.309359617229351e-09 -2.473771917751545e-10 1.575666365561595e-09 ] ] "source-value" [ [ 3.3774 -4.0533824 -1.0591894 ] [ 1.6757073 2.682101 2.0024116 ] [ 1.7517166 -0.4905234 -0.8096674 ] [ -2.1621528 1.4638268 1.1308695 ] [ -0.0402723 0.6205593 -0.4905531 ] [ -4.0721494 2.3927154 -2.983164 ] [ 0.2869887 -2.460896 1.2258392 ] [ -0.817238 -0.1544007 0.9834536 ] ] } "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" -5.681002668562503e-18 "source-value" -35.45803 } }