{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.711766 1.445938 2.481154 ] [ 1.786648 3.09956 4.150451 ] [ 2.046679 3.825969 2.202277 ] [ 4.127996 2.712807 1.52252 ] [ 4.061478 2.056421 3.562426 ] [ 4.12269 4.38488 2.772359 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.711766e-10 1.445938e-10 2.481154e-10 ] [ 1.786648e-10 3.09956e-10 4.150451000000001e-10 ] [ 2.046679e-10 3.825969e-10 2.202277e-10 ] [ 4.127996e-10 2.712807e-10 1.52252e-10 ] [ 4.061478e-10 2.056421e-10 3.562426e-10 ] [ 4.122690000000001e-10 4.38488e-10 2.772359e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5741022 -2.2159009 -0.7331171 ] [ -1.3513242 -1.3497849 7.0074357 ] [ -2.9927979 2.9967195 -6.8493179 ] [ 0.9317667 -4.9402074 -10.1003343 ] [ 0.4859689 -2.6010692 5.4406043 ] [ 3.5004886 8.1102428 5.2347293 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.198131303679947e-10 -3.55026464523957e-09 -1.174583087605841e-09 ] [ -2.165060058198743e-09 -2.162593827706026e-09 1.122714974279743e-08 ] [ -4.794990865664268e-09 4.801273961552164e-09 -1.097381709821795e-08 ] [ 1.492854835079288e-09 -7.915084863393892e-09 -1.618251961104874e-08 ] [ 7.786080164306825e-10 -4.167372295657072e-09 8.716809084299925e-09 ] [ 5.608401042503371e-09 1.299404151022673e-08 8.386960969775175e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.1355819 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.143246259017332e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7038678 1.4155913 2.468642 ] [ 1.7647875 3.0780461 4.2547146 ] [ 2.0131496 3.8703235 2.1099854 ] [ 4.1440557 2.6517682 1.4063386 ] [ 4.0657662 2.0206996 3.6250791 ] [ 4.1656302 4.4891464 2.8264273 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7038678e-10 1.4155913e-10 2.468642e-10 ] [ 1.7647875e-10 3.0780461e-10 4.2547146e-10 ] [ 2.0131496e-10 3.8703235e-10 2.1099854e-10 ] [ 4.1440557e-10 2.6517682e-10 1.4063386e-10 ] [ 4.0657662e-10 2.0206996e-10 3.6250791e-10 ] [ 4.1656302e-10 4.4891464e-10 2.8264273e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.1600242 -0.4781632 -0.3434381 ] [ -0.6233704 -0.5850928 2.2756562 ] [ -0.2922193 0.9369504 -1.5017786 ] [ 0.5393346 -0.8175998 -1.0161592 ] [ -0.039224 -0.7556545 0.574901 ] [ 0.5755035 1.6995598 0.0108188 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.563870341145428e-10 -7.661019062786688e-10 -5.502484990453554e-10 ] [ -9.987494892072335e-10 -9.374220128816352e-10 3.64600319065723e-09 ] [ -4.681869344638361e-10 1.501160038096954e-09 -2.406114582361232e-09 ] [ 8.641092940277363e-10 -1.309939295523073e-09 -1.628066526664133e-09 ] [ -6.2843776292016e-11 -1.210691983276953e-09 9.210929490632339e-10 ] [ 9.220582604852188e-10 2.722994999645713e-09 1.73336285679192e-11 ] ] } "relaxed-potential-energy" { "source-value" -10.032133 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.607324908178032e-18 } }