{ "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" [ [ 0.4782146 0.2463157 2.780652 ] [ 1.177721 1.395115 2.585121 ] [ 0.0381624 2.281468 2.997086 ] [ 2.63123 2.94255 0.0860101 ] [ 1.942246 2.110601 1.196975 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.782146e-11 2.463157e-11 2.780652e-10 ] [ 1.177721e-10 1.395115e-10 2.585121e-10 ] [ 3.81624e-12 2.281468e-10 2.997086e-10 ] [ 2.63123e-10 2.94255e-10 8.601010000000001e-12 ] [ 1.942246e-10 2.110601e-10 1.196975e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -51.4397599 -102.1114141 18.3983068 ] [ 71.3953815 27.6245106 8.0062644 ] [ -57.0226781 49.874864 26.9172722 ] [ 18.613766 24.8911795 -31.0220811 ] [ 18.4532904 -0.27914 -22.2997622 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.241558069134535e-08 -1.636005203878475e-07 2.947733701726566e-08 ] [ 1.143880110723968e-07 4.425934504436178e-08 1.282744964162334e-08 ] [ -9.136040170722417e-08 7.990834106637957e-08 4.312622421454978e-08 ] [ 2.982254071024193e-08 3.988006585903623e-08 -4.970285306698155e-08 ] [ 2.956543045571308e-08 -4.47231581930112e-10 -3.572815764623958e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 69.983048 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.121252033579242e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.3585942 -0.6997509 3.1658651 ] [ 1.3047629 1.4112818 2.7431715 ] [ -0.2891029 3.0854805 3.1756072 ] [ 2.9152871 3.6467736 0.068014 ] [ 1.9780328 1.5322648 0.4931863 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.585942e-11 -6.997509e-11 3.1658651e-10 ] [ 1.3047629e-10 1.4112818e-10 2.7431715e-10 ] [ -2.891029e-11 3.0854805e-10 3.1756072e-10 ] [ 2.9152871e-10 3.6467736e-10 6.8014e-12 ] [ 1.9780328e-10 1.5322648e-10 4.931863e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.86e-05 1.78e-05 -1.67e-05 ] [ 1.08e-05 -4.12e-05 3.14e-05 ] [ 2e-06 1.93e-05 -2.93e-05 ] [ -1.23e-05 -2.23e-05 1.34e-05 ] [ -1.91e-05 2.63e-05 1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.980048514688e-14 2.851874385024e-14 -2.675634956736e-14 ] [ 1.730350750464e-14 -6.600967677696001e-14 5.030834589312e-14 ] [ 3.2043532416e-15 3.092200878144e-14 -4.694377498944e-14 ] [ -1.970677243584e-14 -3.572853864384e-14 2.146916671872e-14 ] [ -3.060157345728e-14 4.213724512704e-14 1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.2599996 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.483615486773735e-18 } }