{ "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" [ 5.43385 0 0 ] "si-unit" "m" "si-value" [ 5.43385e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0231251 5.41563 0 ] "si-unit" "m" "si-value" [ 2.31251e-12 5.415630000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0358168 0.0829392 5.41654 ] "si-unit" "m" "si-value" [ -3.581680000000001e-12 8.29392e-12 5.41654e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.8453721 -3.9289086 -2.1960258 ] [ 1.1822308 3.4897113 2.3494453 ] [ 2.583671 -0.8115057 -1.0548213 ] [ -1.8844383 1.3809146 1.3882658 ] [ -0.395223 0.6058095 -0.7235835 ] [ -4.4418291 2.4453722 -2.6790383 ] [ 0.0582265 -3.3893345 1.5933743 ] [ -0.9480099 0.2079413 1.3223834 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.1609652768966e-09 -6.294805504180059e-09 -3.518421195433617e-09 ] [ 1.89414254814968e-09 5.591133858201575e-09 3.764226331508443e-09 ] [ 4.139497272038956e-09 -1.300175460185938e-09 -1.690010025981863e-09 ] [ -3.019202987600097e-09 2.212469087441384e-09 2.224247008216209e-09 ] [ -6.332170506024384e-10 9.706138175585376e-10 -1.159308566896637e-09 ] [ -7.116594737609104e-09 3.917918167994262e-09 -4.292292530487777e-09 ] [ 9.32891370110112e-11 -5.430312495970858e-09 2.552867051643565e-09 ] [ -1.518879298066946e-09 3.33158689358759e-10 2.118691767214015e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.091273 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.622241719471028e-18 } }