{ "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" [ [ 0.148581 1.499098 2.912634 ] [ 0.4436014 1.560152 0.6683764 ] [ 2.110053 0.4783189 0.3653162 ] [ 2.063967 1.021193 2.434749 ] [ 2.249538 2.67297 1.348927 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.48581e-11 1.499098e-10 2.912634e-10 ] [ 4.436014e-11 1.560152e-10 6.683764e-11 ] [ 2.110053e-10 4.783189e-11 3.653162e-11 ] [ 2.063967e-10 1.021193e-10 2.434749e-10 ] [ 2.249538e-10 2.67297e-10 1.348927e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6018277 -2.4627588 1.5141954 ] [ -12.5773925 2.9444597 -20.2813873 ] [ -6.1862895 -15.3323218 -1.9718671 ] [ 15.0026617 -0.486627 9.9419121 ] [ 3.1591926 15.337248 10.797147 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.642342786339616e-10 -3.945774604537878e-09 2.426008489190283e-09 ] [ -2.015120438014684e-08 4.717544531094649e-09 -3.249436483716434e-08 ] [ -9.911528488059542e-09 -2.456508773292882e-08 -3.159279392973341e-09 ] [ 2.403691402354672e-08 -7.796624088735178e-10 1.592869926390187e-08 ] [ 5.061584566025707e-09 2.457298037546323e-08 1.72989366372632e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.4466817 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.156629825753978e-20 } "relaxed-configuration-positions" { "source-value" [ [ -0.0972453 1.2066083 2.9280617 ] [ 0.3396469 1.8949956 0.4692654 ] [ 1.9547787 -0.1265148 0.3457728 ] [ 2.4666501 0.9976935 2.6227333 ] [ 2.3519101 3.2589493 1.3641695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.72453e-12 1.2066083e-10 2.9280617e-10 ] [ 3.396469e-11 1.8949956e-10 4.692654e-11 ] [ 1.9547787e-10 -1.265148e-11 3.457728e-11 ] [ 2.4666501e-10 9.976935000000001e-11 2.6227333e-10 ] [ 2.3519101e-10 3.2589493e-10 1.3641695e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.3e-06 -4.5e-06 -1.3e-06 ] [ 3.9e-06 1.5e-06 6.9e-06 ] [ -1e-06 -6.9e-06 -1.9e-06 ] [ -4.6e-06 5.3e-06 -2.5e-06 ] [ 3e-06 4.6e-06 -1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.0828296242e-15 -7.209794853e-15 -2.0828296242e-15 ] [ 6.248488872599999e-15 2.403264951e-15 1.10550187746e-14 ] [ -1.602176634e-15 -1.10550187746e-14 -3.0441356046e-15 ] [ -7.370012516399999e-15 8.4915361602e-15 -4.005441585e-15 ] [ 4.806529901999999e-15 7.370012516399999e-15 -1.9226119608e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.025254 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.926658097671503e-18 } }