{ "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" [ 5.36644 0 0 ] "si-unit" "m" "si-value" [ 5.366440000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.227231 5.37948 0 ] "si-unit" "m" "si-value" [ -2.27231e-11 5.379480000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0350261 -0.0899265 5.39939 ] "si-unit" "m" "si-value" [ -3.50261e-12 -8.992650000000001e-12 5.399390000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00104229 0.0077963 0.00224549 ] [ 1.32493 1.37357 1.36608 ] [ -0.0958533 2.66355 2.80902 ] [ 1.19786 4.07015 4.22336 ] [ 2.70129 0.113781 2.60003 ] [ 3.9906 1.45175 3.98519 ] [ 2.48193 2.86985 0.00162227 ] [ 4.00824 4.16333 1.43322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04229e-13 7.7963e-13 2.24549e-13 ] [ 1.32493e-10 1.37357e-10 1.36608e-10 ] [ -9.58533e-12 2.66355e-10 2.80902e-10 ] [ 1.19786e-10 4.07015e-10 4.22336e-10 ] [ 2.70129e-10 1.13781e-11 2.60003e-10 ] [ 3.9906e-10 1.45175e-10 3.98519e-10 ] [ 2.48193e-10 2.86985e-10 1.62227e-13 ] [ 4.00824e-10 4.16333e-10 1.43322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2183407 1.816764 -0.3865073 ] [ -0.9611032 0.712644 -0.3193048 ] [ 1.5198608 1.5831546 -1.4319062 ] [ -0.4909561 0.7364077 -2.5287647 ] [ 0.2770123 -1.0107996 1.4597395 ] [ -1.4428801 -1.3287385 2.0426264 ] [ 2.4546644 -1.1765472 1.0784331 ] [ -1.5749388 -1.332885 0.0856839 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.498203649091066e-10 2.910776806311091e-09 -6.192529598285318e-10 ] [ -1.539857077216067e-09 1.141781555753395e-09 -5.115826854692198e-10 ] [ 2.435085440630384e-09 2.536493287231976e-09 -2.294166636818569e-09 ] [ -7.865983852591469e-10 1.1798552003171e-09 -4.051527681844326e-09 ] [ 4.438226307340358e-10 -1.619479487433992e-09 2.338760499358282e-09 ] [ -2.311748762837566e-09 -2.128873759856861e-09 3.272648263108869e-09 ] [ 3.932805913590059e-09 -1.885036417107701e-09 1.727840299916869e-09 ] [ -2.523330124550807e-09 -2.135517185215008e-09 1.372807413589651e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.919032 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.672033724176707e-18 } }