{ "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" [ [ 2.024908 1.18877 2.927879 ] [ 1.938594 2.418534 4.826435 ] [ 2.412467 3.694527 2.059811 ] [ 3.090256 4.25078 4.272664 ] [ 3.913894 1.726388 1.808826 ] [ 4.03064 2.069757 3.989682 ] [ 4.599294 3.851686 2.39416 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.024908e-10 1.18877e-10 2.927879e-10 ] [ 1.938594e-10 2.418534e-10 4.826435e-10 ] [ 2.412467e-10 3.694527e-10 2.059811e-10 ] [ 3.090256e-10 4.25078e-10 4.272664e-10 ] [ 3.913894e-10 1.726388e-10 1.808826e-10 ] [ 4.03064e-10 2.069757e-10 3.989682e-10 ] [ 4.599294e-10 3.851686e-10 2.39416e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.2802551 -6.3055764 -2.0178852 ] [ -5.8368228 -1.4146008 6.8230017 ] [ -9.8926417 8.7589222 -10.0248318 ] [ -1.5765828 7.8415619 5.1578752 ] [ 3.7979102 -6.5657577 -7.7246959 ] [ 12.4592916 -8.6071445 11.5269876 ] [ 8.3291007 6.2925953 -3.7404516 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.166425451467997e-08 -1.010264708874823e-08 -3.233008490898332e-09 ] [ -9.351621029912394e-09 -2.266440329524977e-09 1.093165380741865e-08 ] [ -1.584975924969117e-08 1.40333403722461e-08 -1.606155113741238e-08 ] [ -2.525964102915402e-09 1.256356714673603e-08 8.263827058444125e-09 ] [ 6.084922930337852e-09 -1.051950348477758e-08 -1.237632717376962e-08 ] [ 1.996198571324983e-08 -1.379016568974731e-08 1.84682700409715e-08 ] [ 1.334469041382891e-08 1.008184907381596e-08 -5.992864104753953e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.63827217 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.022624748481283e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8582216 1.6518605 2.469861 ] [ 2.4260494 2.3779618 4.8270356 ] [ 1.3541188 3.9502149 2.0389592 ] [ 2.8813386 4.5273516 3.7875122 ] [ 4.270196 1.5853696 2.177065 ] [ 4.4967027 1.2176154 4.5300151 ] [ 4.7234258 3.8900681 2.4490088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8582216e-10 1.6518605e-10 2.469861e-10 ] [ 2.4260494e-10 2.3779618e-10 4.8270356e-10 ] [ 1.3541188e-10 3.9502149e-10 2.0389592e-10 ] [ 2.8813386e-10 4.5273516e-10 3.7875122e-10 ] [ 4.270196000000001e-10 1.5853696e-10 2.177065e-10 ] [ 4.4967027e-10 1.2176154e-10 4.5300151e-10 ] [ 4.723425800000001e-10 3.8900681e-10 2.4490088e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.2e-06 -1.7e-06 3e-07 ] [ 3.5e-06 5e-07 -1.4e-06 ] [ 1e-06 2e-06 -8e-07 ] [ -1.4e-06 -8e-07 -4e-07 ] [ -4e-07 1e-06 -8e-07 ] [ -1e-07 -2e-07 1.7e-06 ] [ -1.4e-06 -9e-07 1.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.92261194496e-15 -2.72370025536e-15 4.8065298624e-16 ] [ 5.6076181728e-15 8.010883104e-16 -2.24304726912e-15 ] [ 1.6021766208e-15 3.2043532416e-15 -1.28174129664e-15 ] [ -2.24304726912e-15 -1.28174129664e-15 -6.408706483200001e-16 ] [ -6.408706483200001e-16 1.6021766208e-15 -1.28174129664e-15 ] [ -1.6021766208e-16 -3.2043532416e-16 2.72370025536e-15 ] [ -2.24304726912e-15 -1.44195895872e-15 2.24304726912e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.906007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.907552606248115e-18 } }