{ "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" [ [ 2.649462 0.9916265 2.612716 ] [ 1.648491 2.667782 3.780456 ] [ 2.525478 3.798893 2.25676 ] [ 4.349928 2.588165 2.084291 ] [ 3.878534 1.770814 4.034173 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.649462e-10 9.916265e-11 2.612716e-10 ] [ 1.648491e-10 2.667782e-10 3.780456e-10 ] [ 2.525478e-10 3.798893e-10 2.25676e-10 ] [ 4.349928e-10 2.588165e-10 2.084291e-10 ] [ 3.878534e-10 1.770814e-10 4.034173e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.1623852 -14.2769915 -4.8866588 ] [ -10.6908435 2.4143265 6.8594125 ] [ -3.5799237 13.2862046 -6.7329877 ] [ 10.3413011 3.0522372 -7.5735728 ] [ 9.0918514 -4.4757768 12.3338068 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.271052875003932e-09 -2.287426199666033e-08 -7.829290483186583e-09 ] [ -1.712861951233165e-08 3.868177473277891e-09 1.098999033992328e-08 ] [ -5.735670056387834e-09 2.128684638928542e-08 -1.078743548107396e-08 ] [ 1.656859085107332e-08 4.890223082976054e-09 -1.213420127608679e-08 ] [ 1.456675175286775e-08 -7.170984948879037e-09 1.976093690042406e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 2.8679789 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.595008742527702e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.223389 0.6716432 3.7018673 ] [ 1.0128228 2.5813055 3.0143006 ] [ 2.5628101 4.1899058 2.2429557 ] [ 4.7313223 3.2744153 2.4538066 ] [ 4.5215488 1.1000107 3.3554658 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.223389e-10 6.716432e-11 3.7018673e-10 ] [ 1.0128228e-10 2.5813055e-10 3.0143006e-10 ] [ 2.5628101e-10 4.1899058e-10 2.2429557e-10 ] [ 4.731322300000001e-10 3.2744153e-10 2.4538066e-10 ] [ 4.5215488e-10 1.1000107e-10 3.3554658e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.8e-06 3.5e-06 -1.7e-06 ] [ -1.7e-06 -9e-07 4e-07 ] [ -2.8e-06 1.8e-06 -5e-07 ] [ 1.9e-06 -3.7e-06 1.4e-06 ] [ -2.3e-06 -6e-07 3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.69044777984e-15 5.6076181728e-15 -2.72370025536e-15 ] [ -2.72370025536e-15 -1.44195895872e-15 6.408706483200001e-16 ] [ -4.48609453824e-15 2.88391791744e-15 -8.010883104e-16 ] [ 3.04413557952e-15 -5.928053496960001e-15 2.24304726912e-15 ] [ -3.68500622784e-15 -9.6130597248e-16 4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -7.0960126 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.136906548862222e-18 } }