{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.04098 2.133134 3.812884 ] [ 2.161605 4.797503 2.926814 ] [ 2.748178 3.149118 1.513672 ] [ 4.833213 2.247647 2.725743 ] [ 4.087134 1.710162 4.852625 ] [ 4.720686 4.556589 2.507622 ] [ 3.429181 3.830938 4.469304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04098e-10 2.133134e-10 3.812884e-10 ] [ 2.161605e-10 4.797503e-10 2.926814e-10 ] [ 2.748178e-10 3.149118e-10 1.513672e-10 ] [ 4.833213e-10 2.247647e-10 2.725743e-10 ] [ 4.087134e-10 1.710162e-10 4.852625e-10 ] [ 4.720686e-10 4.556589e-10 2.507622e-10 ] [ 3.429181e-10 3.830938e-10 4.469304000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8763218 -1.6693007 -0.591694 ] [ 1.371273 -3.2324861 -3.3389846 ] [ -1.5140837 3.6421393 2.5626199 ] [ -2.0250219 11.3766952 3.4901367 ] [ 2.6108219 0.0642356 -4.2049904 ] [ 0.5508035 -12.65008 1.2391377 ] [ 0.882529 2.4687967 0.8437747 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.006198921057373e-09 -2.674514554625075e-09 -9.479982934676353e-10 ] [ 2.197021541334278e-09 -5.179013656480971e-09 -5.34964306333124e-09 ] [ -2.425829506074361e-09 5.835350436156878e-09 4.105769691776834e-09 ] [ -3.244442744787996e-09 1.822747507140758e-08 5.591815424136063e-09 ] [ 4.182997809252635e-09 1.029167765430605e-10 -6.737137309568441e-09 ] [ 8.824844903548128e-10 -2.026766242724967e-08 1.985317452891884e-09 ] [ 1.413967330978003e-09 3.955448354248192e-09 1.351876097562534e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.085533 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.615880518090689e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8398119 0.1118682 5.4685208 ] [ 1.7376721 5.3578419 2.8576527 ] [ 1.6919992 5.9400252 0.7403152 ] [ 5.3344831 2.120372 3.2325927 ] [ 3.5579017 1.9690753 4.5242785 ] [ 6.5421664 3.1431687 1.7054036 ] [ 2.3169426 3.7827398 4.2799006 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8398119e-10 1.118682e-11 5.468520800000001e-10 ] [ 1.7376721e-10 5.3578419e-10 2.8576527e-10 ] [ 1.6919992e-10 5.9400252e-10 7.403152e-11 ] [ 5.3344831e-10 2.120372e-10 3.2325927e-10 ] [ 3.5579017e-10 1.9690753e-10 4.5242785e-10 ] [ 6.542166400000001e-10 3.1431687e-10 1.7054036e-10 ] [ 2.3169426e-10 3.7827398e-10 4.2799006e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0391562 -0.0107718 0.0962245 ] [ -0.0503132 0.0344339 -0.0488169 ] [ -0.0515673 0.1388432 -0.1205946 ] [ 0.5337797 -0.0291252 -0.2380847 ] [ -0.8399372 0.351957 0.1025494 ] [ 0.0943706 0.0011617 -0.0637622 ] [ 0.2745112 -0.4864988 0.2724844 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.273514819936897e-11 -1.725832612393344e-11 1.541686442481696e-10 ] [ -8.061063275763456e-11 5.516918954296513e-11 -7.821329587993153e-11 ] [ -8.261992245777986e-11 2.224513289970586e-10 -1.932138487147277e-10 ] [ 8.552093559976377e-10 -4.666371451612417e-11 -3.814537401101818e-10 ] [ -1.345727744780214e-09 5.638972769269057e-10 1.643022511570675e-10 ] [ 1.511983690108685e-10 1.86124858038336e-12 -1.021583061307738e-10 ] [ 4.39815426787753e-10 -7.794570034072551e-10 4.365681352127156e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.642205 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.506157514876087e-18 } }