{ "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" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.787636 -0.875105 0.3331957 ] [ -0.7121384 -0.6757389 1.0014424 ] [ -1.3433973 -1.3599858 -0.699296 ] [ 0.5800927 0.3774729 0.3768195 ] [ 0.1428237 -0.6064772 -0.320158 ] [ 2.4661136 0.7853711 -0.4799413 ] [ 0.6541417 2.3544629 -0.2120623 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.864108629297224e-09 -1.40207278329657e-09 5.338383650892737e-10 ] [ -1.140971504654145e-09 -1.082653076264862e-09 1.604487613576881e-09 ] [ -2.152359764238688e-09 -2.178937471331797e-09 -1.120395711449664e-09 ] [ 9.294109694939717e-10 6.047782603482185e-10 6.037313981355629e-10 ] [ 2.288287949214258e-10 -9.716835988937448e-10 -5.12949666788172e-10 ] [ 3.951149586709622e-09 1.258303225438877e-09 -7.689507365515842e-10 ] [ 1.048050547065038e-09 3.772265443999878e-09 -3.397612620122982e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.219887 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.239583049352036e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5535172 2.7660223 0.4877934 ] [ 1.8328519 4.8875179 1.2982047 ] [ 2.1222592 3.1018983 2.8489258 ] [ 4.8776889 2.5559149 0.9741802 ] [ 4.457529 2.8831103 3.2745715 ] [ 4.0670232 4.7431671 0.4830176 ] [ 3.6357257 5.0789933 2.8441457 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5535172e-10 2.7660223e-10 4.877934e-11 ] [ 1.8328519e-10 4.8875179e-10 1.2982047e-10 ] [ 2.1222592e-10 3.1018983e-10 2.8489258e-10 ] [ 4.8776889e-10 2.5559149e-10 9.741802e-11 ] [ 4.457529e-10 2.8831103e-10 3.2745715e-10 ] [ 4.0670232e-10 4.7431671e-10 4.830176e-11 ] [ 3.6357257e-10 5.0789933e-10 2.8441457e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.99e-05 -1.32e-05 -3.51e-05 ] [ -2.8e-05 4.19e-05 1.76e-05 ] [ -3.59e-05 -6.62e-05 3.05e-05 ] [ -2.4e-06 4.4e-06 3.75e-05 ] [ -4.6e-06 1.3e-06 -1.49e-05 ] [ 1.24e-05 -7.2e-06 -5.78e-05 ] [ 3.86e-05 3.9e-05 2.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.18833150166e-14 -2.11487315688e-14 -5.62363998534e-14 ] [ -4.486094575199999e-14 6.713120096459999e-14 2.81983087584e-14 ] [ -5.751814116059999e-14 -1.060640931708e-13 4.886638733699999e-14 ] [ -3.845223921599999e-15 7.0495771896e-15 6.008162377499999e-14 ] [ -7.370012516399999e-15 2.0828296242e-15 -2.38724318466e-14 ] [ 1.98669902616e-14 -1.15356717648e-14 -9.26058094452e-14 ] [ 6.18440180724e-14 6.248488872599999e-14 3.572853893819999e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864829040116e-18 } }