{ "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" [ [ 1.232696 1.429874 2.018017 ] [ 2.664166 0.3933008 4.008788 ] [ 2.480457 2.487888 4.841749 ] [ 1.659099 3.474448 2.765735 ] [ 4.127261 1.03872 2.31822 ] [ 4.538799 1.714568 4.545045 ] [ 3.952007 3.51716 3.378238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.232696e-10 1.429874e-10 2.018017e-10 ] [ 2.664166e-10 3.933008e-11 4.008788e-10 ] [ 2.480457e-10 2.487888e-10 4.841749e-10 ] [ 1.659099e-10 3.474448e-10 2.765735e-10 ] [ 4.127261e-10 1.03872e-10 2.31822e-10 ] [ 4.538799e-10 1.714568e-10 4.545045e-10 ] [ 3.952007e-10 3.51716e-10 3.378238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.489197 -1.4084867 0.5917034 ] [ -1.0822465 -0.7131517 -1.0384386 ] [ -1.9086822 1.3577567 1.1116749 ] [ 0.3295316 0.5880637 0.6371887 ] [ -0.6018568 0.5222033 -0.4669967 ] [ 1.5942371 -1.1126325 0.4180477 ] [ 0.1798199 0.7662472 -1.2531793 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.385956617165498e-09 -2.256644461447744e-09 9.480133539278706e-10 ] [ -1.733950040242627e-09 -1.142594980823775e-09 -1.663762047056283e-09 ] [ -3.05804599737711e-09 2.175366041474559e-09 1.781099534710178e-09 ] [ 5.279678253348173e-10 9.421819116811449e-10 1.020888838177945e-09 ] [ -9.642808940295015e-10 8.366619185646087e-10 -7.482111947307514e-10 ] [ 2.554249409631992e-09 -1.782633779042256e-09 6.697862513192122e-10 ] [ 2.881032397345939e-10 1.227663349593462e-09 -2.00781457613051e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.301422 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.252646369739478e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.643469 1.2976182 1.9898765 ] [ 2.4922747 0.4143001 4.0348181 ] [ 2.4384695 2.6439329 4.9832757 ] [ 1.5910806 3.4698854 2.9139287 ] [ 4.0133296 1.216896 2.2343138 ] [ 4.5162997 1.56679 4.5368209 ] [ 3.9595621 3.4465362 3.1827583 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.643469e-10 1.2976182e-10 1.9898765e-10 ] [ 2.4922747e-10 4.143001000000001e-11 4.0348181e-10 ] [ 2.4384695e-10 2.6439329e-10 4.9832757e-10 ] [ 1.5910806e-10 3.4698854e-10 2.9139287e-10 ] [ 4.0133296e-10 1.216896e-10 2.2343138e-10 ] [ 4.5162997e-10 1.56679e-10 4.5368209e-10 ] [ 3.9595621e-10 3.4465362e-10 3.1827583e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.56e-05 -3.14e-05 -4.79e-05 ] [ -4.34e-05 -5.23e-05 2.78e-05 ] [ 3.74e-05 1.9e-05 6.27e-05 ] [ -2.2e-06 2.61e-05 -2.21e-05 ] [ 4.03e-05 -6.3e-06 -3.2e-05 ] [ 6.7e-06 -7.7e-06 1.25e-05 ] [ -1.32e-05 5.25e-05 -1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.101572149248001e-14 -5.030834589312e-14 -7.674426013632e-14 ] [ -6.953446534272e-14 -8.379383726784e-14 4.454051005824e-14 ] [ 5.992140561792e-14 3.04413557952e-14 1.0045647412416e-13 ] [ -3.52478856576e-15 4.181680980288e-14 -3.540810331968e-14 ] [ 6.456771781824e-14 -1.009371271104e-14 -5.12696518656e-14 ] [ 1.073458335936e-14 -1.233675998016e-14 2.002720776e-14 ] [ -2.114873139456e-14 8.4114272592e-14 -1.6021766208e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864800740979e-18 } }