{ "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" [ [ 0.8784497 0.4697805 1.02237 ] [ 0.3714623 2.027429 0.7033507 ] [ 0.1687176 1.823848 2.813644 ] [ 2.523837 0.1233038 2.780688 ] [ 2.720424 2.179791 0.2128499 ] [ 1.955613 2.373981 2.741889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.784497e-11 4.697805e-11 1.02237e-10 ] [ 3.714623e-11 2.027429e-10 7.033507e-11 ] [ 1.687176e-11 1.823848e-10 2.813644e-10 ] [ 2.523837e-10 1.233038e-11 2.780688e-10 ] [ 2.720424e-10 2.179791e-10 2.128499e-11 ] [ 1.955613e-10 2.373981e-10 2.741889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.8902863 -53.8126627 -19.8142413 ] [ -23.3046633 24.2387065 -28.6882976 ] [ -29.0675012 9.5893656 23.8915041 ] [ 14.0127132 -13.493408 6.0846861 ] [ 14.8047734 7.9833222 -11.64158 ] [ 29.4449642 25.4946764 30.1679287 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.437278999678534e-09 -8.62173900809362e-08 -3.17459141697498e-08 ] [ -3.733818669487578e-08 3.8834688872733e-08 -4.596371970527275e-08 ] [ -4.657127084771595e-08 1.536385737262376e-08 3.827840930476735e-08 ] [ 2.245084148301555e-08 -2.161882283251569e-08 9.74874181432673e-09 ] [ 2.371986181772173e-08 1.279069218515362e-08 -1.865186730517286e-08 ] [ 4.717603324153297e-08 4.084697448294151e-08 4.833435006110134e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 26.893609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.308831158873647e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9139371 -0.4125118 0.8930679 ] [ 0.2303951 1.8310144 0.4416967 ] [ -0.003492 2.5596754 2.8200052 ] [ 2.497836 -0.1060669 2.6589577 ] [ 2.5054158 2.8608413 0.517454 ] [ 2.4744116 2.265181 2.9436101 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.139371e-11 -4.125118e-11 8.930679000000001e-11 ] [ 2.303951e-11 1.8310144e-10 4.416967e-11 ] [ -3.492e-13 2.5596754e-10 2.820005200000001e-10 ] [ 2.497836e-10 -1.060669e-11 2.6589577e-10 ] [ 2.505415800000001e-10 2.8608413e-10 5.17454e-11 ] [ 2.4744116e-10 2.265181e-10 2.9436101e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.9e-06 -1.6e-06 -2.03e-05 ] [ -1.68e-05 -4.6e-06 -7.2e-06 ] [ -1.32e-05 -1.3e-06 2.8e-05 ] [ -9.3e-06 2.51e-05 3.01e-05 ] [ 2.13e-05 1.19e-05 -2.63e-05 ] [ 1e-05 -2.95e-05 -4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.265719530432e-14 -2.56348259328e-15 -3.252418540224e-14 ] [ -2.691656722944e-14 -7.370012455680001e-15 -1.153567166976e-14 ] [ -2.114873139456e-14 -2.08282960704e-15 4.48609453824e-14 ] [ -1.490024257344e-14 4.021463318208e-14 4.822551628608e-14 ] [ 3.412636202304e-14 1.906590178752e-14 -4.213724512704e-14 ] [ 1.6021766208e-14 -4.72642103136e-14 -6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.021911 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.246557798313835e-18 } }