{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.03068 2.305251 2.057253 ] [ 2.579116 2.417689 4.578894 ] [ 0.1076423 2.252956 3.524492 ] [ 1.371288 4.166573 3.55215 ] [ 3.675708 3.460848 3.322007 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.03068e-10 2.305251e-10 2.057253e-10 ] [ 2.579116e-10 2.417689e-10 4.578894e-10 ] [ 1.076423e-11 2.252956e-10 3.524492e-10 ] [ 1.371288e-10 4.166573e-10 3.55215e-10 ] [ 3.675708000000001e-10 3.460848e-10 3.322007e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6598268 -1.847687 -14.2796497 ] [ 11.2205655 3.2493785 9.3134372 ] [ -7.8430699 -3.1244722 0.2915191 ] [ -6.2057301 8.8130878 1.9590945 ] [ 0.1684077 -7.0903071 2.7155989 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.261512314337277e-09 -2.96032091395609e-09 -2.287852090255373e-08 ] [ 1.797732771625506e-08 5.206078264830173e-09 1.492177134112901e-08 ] [ -1.256598322908019e-08 -5.005956311179542e-09 4.670650865366572e-10 ] [ -9.942675681214847e-09 1.412012323021771e-08 3.138815405837866e-09 ] [ 2.698188797027002e-10 -1.135992426991225e-08 4.350869069050197e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.7617125 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.42475120087112e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9707202 2.0486883 1.7739586 ] [ 2.83527 3.1395276 4.8136438 ] [ 0.4270949 2.3340045 3.0421672 ] [ 0.7758858 4.4354118 4.3181954 ] [ 3.7554634 2.6456849 3.086831 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9707202e-10 2.0486883e-10 1.7739586e-10 ] [ 2.83527e-10 3.1395276e-10 4.813643800000001e-10 ] [ 4.270949e-11 2.3340045e-10 3.0421672e-10 ] [ 7.758858e-11 4.4354118e-10 4.3181954e-10 ] [ 3.7554634e-10 2.6456849e-10 3.086831e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.76e-05 3.06e-05 5.82e-05 ] [ -1.55e-05 4.7e-05 0.0001011 ] [ 1.24e-05 -2.34e-05 -4.78e-05 ] [ 4.07e-05 -2.17e-05 -8.2e-06 ] [ -6.51e-05 -3.25e-05 -0.0001033 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.422007473408001e-14 4.902660459647999e-14 9.324667933055999e-14 ] [ -2.48337376224e-14 7.530230117759999e-14 1.6198005636288e-13 ] [ 1.986699009792e-14 -3.749093292672001e-14 -7.658404247424001e-14 ] [ 6.520858846656e-14 -3.476723267136e-14 -1.313784829056e-14 ] [ -1.0430169801408e-13 -5.207074017599999e-14 -1.6550484492864e-13 ] ] } "relaxed-potential-energy" { "source-value" -11.295169 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.809685569978491e-18 } }