{ "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" [ [ 2.316837 2.864638 1.901515 ] [ 3.52699 0.8132212 1.584521 ] [ 4.498469 2.850966 1.401087 ] [ 3.329161 3.035367 4.525662 ] [ 4.789001 1.444676 3.549999 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.316837e-10 2.864638e-10 1.901515e-10 ] [ 3.52699e-10 8.132212e-11 1.584521e-10 ] [ 4.498469e-10 2.850966e-10 1.401087e-10 ] [ 3.329161e-10 3.035367e-10 4.525662e-10 ] [ 4.789001e-10 1.444676e-10 3.549999e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.1849852 6.8599563 0.8385366 ] [ -2.3340922 -13.0804247 -3.0385416 ] [ 9.0751794 9.349311 -7.2458788 ] [ -1.2426428 0.3117708 1.0652669 ] [ 5.6865407 -3.4406134 8.3806169 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.792032179143401e-08 1.099086160356967e-08 1.343483736205121e-09 ] [ -3.739627953631638e-09 -2.095715064447485e-08 -4.868280312848225e-09 ] [ 1.454004026424577e-08 1.497924750478827e-08 -1.160917761051036e-08 ] [ -1.99093324216545e-09 4.995118868081127e-10 1.706745722092091e-09 ] [ 9.110842562767668e-09 -5.512470350691199e-09 1.342722846506137e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.4913938 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.389476278766071e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.8160946 2.7591827 1.933459 ] [ 3.6180302 0.4569784 1.9486938 ] [ 4.2035805 4.0627856 0.5529081 ] [ 3.5099995 3.0159056 4.2563991 ] [ 4.3127532 0.7140159 4.2713239 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8160946e-10 2.7591827e-10 1.933459e-10 ] [ 3.6180302e-10 4.569784e-11 1.9486938e-10 ] [ 4.2035805e-10 4.0627856e-10 5.529081000000001e-11 ] [ 3.5099995e-10 3.0159056e-10 4.256399100000001e-10 ] [ 4.312753200000001e-10 7.140159000000001e-11 4.2713239e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.9e-06 -1.07e-05 1e-07 ] [ 6.3e-06 -2.2e-06 -4.74e-05 ] [ -5.4e-06 6.3e-06 -1.71e-05 ] [ 1.14e-05 2.54e-05 2.22e-05 ] [ -7.4e-06 -1.89e-05 4.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.850665441919999e-15 -1.714328984256e-14 1.6021766208e-16 ] [ 1.009371271104e-14 -3.52478856576e-15 -7.594317182591999e-14 ] [ -8.65175375232e-15 1.009371271104e-14 -2.739722021568e-14 ] [ 1.826481347712e-14 4.069528616832e-14 3.556832098176e-14 ] [ -1.185610699392e-14 -3.028113813312e-14 6.761185339776e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.7587726 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.563527730742363e-18 } }