{ "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" [ [ 0.3288529 1.174724 0.8712814 ] [ 1.395659 1.176494 2.521247 ] [ 2.395391 0.4245255 0.3168768 ] [ 2.017962 2.536207 0.5333854 ] [ 2.744316 1.992854 1.84914 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.288529e-11 1.174724e-10 8.712814e-11 ] [ 1.395659e-10 1.176494e-10 2.521247e-10 ] [ 2.395391e-10 4.245255e-11 3.168768e-11 ] [ 2.017962e-10 2.536207e-10 5.333854e-11 ] [ 2.744316e-10 1.992854e-10 1.84914e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.8704926 -3.8341158 -9.2314046 ] [ -18.3651954 -14.7010346 24.335256 ] [ 4.6595296 -14.1962858 -8.3406524 ] [ -15.5680151 26.6767047 -37.2612981 ] [ 48.1441736 6.0547315 30.4980991 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.02338623157899e-08 -6.142930746810217e-09 -1.479034074912011e-08 ] [ -2.942428694872428e-08 -2.355365413174553e-08 3.89893785456083e-08 ] [ 7.465389450551366e-09 -2.2744957398346e-08 -1.336319838759602e-08 ] [ -2.494271003097917e-08 4.274079294245798e-08 -5.969918116832859e-08 ] [ 7.713547000515965e-08 9.70074933444377e-09 4.886334175943643e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 16.269291 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.606627789194649e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3366731 1.0552052 0.9006838 ] [ 1.0057721 1.1766629 3.2016652 ] [ 2.6221306 0.3897772 -0.068214 ] [ 1.9003675 2.8898352 0.0096871 ] [ 3.0172376 1.7933239 2.0481085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.366731e-11 1.0552052e-10 9.006838e-11 ] [ 1.0057721e-10 1.1766629e-10 3.2016652e-10 ] [ 2.622130600000001e-10 3.897772e-11 -6.8214e-12 ] [ 1.9003675e-10 2.8898352e-10 9.6871e-13 ] [ 3.0172376e-10 1.7933239e-10 2.0481085e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.92e-05 5.3e-06 1.21e-05 ] [ -1.31e-05 1e-06 2.17e-05 ] [ 9.9e-06 -4.5e-06 -1.9e-05 ] [ 7.4e-06 -2.2e-06 4.3e-06 ] [ -2.35e-05 5e-07 -1.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.076179137279999e-14 8.4915361602e-15 1.93863372714e-14 ] [ -2.09885139054e-14 1.602176634e-15 3.476723295779999e-14 ] [ 1.58615486766e-14 -7.209794853e-15 -3.0441356046e-14 ] [ 1.18561070916e-14 -3.5247885948e-15 6.8893595262e-15 ] [ -3.765115089899999e-14 8.010883169999999e-16 -3.06015737094e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.750145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.722363113111193e-18 } }