{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5329876 -2.3324263 1.5558042 ] [ -0.6221359 3.1483436 -2.3582752 ] [ -7.0694243 3.2543151 1.7705063 ] [ 0.8511024 -3.8333418 -2.3159845 ] [ 3.3527723 -5.7142013 2.9268735 ] [ 2.2654522 2.8272598 -0.8358595 ] [ 3.7552207 2.650051 -0.7430649 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.058293546931737e-09 -3.736958918387074e-09 2.492673136319063e-09 ] [ -9.967716021525605e-10 5.044202551723442e-09 -3.778373421981676e-09 ] [ -1.13264664292918e-08 5.213987612893372e-09 2.836663824209794e-09 ] [ 1.363616378421321e-09 -6.141690662095501e-09 -3.710616250606172e-09 ] [ 5.371733438182437e-09 -9.155159804832423e-09 4.689368332373799e-09 ] [ 3.629654580283894e-09 4.529769589807513e-09 -1.339194560206923e-09 ] [ 6.016526861053123e-09 4.245849791108333e-09 -1.190521220325547e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.06199 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.092761517154166e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5894655 1.7012375 2.8651686 ] [ 1.8184033 4.2193414 1.151283 ] [ 1.8716291 3.9768159 3.7083474 ] [ 3.6837896 1.2123007 1.7060519 ] [ 4.3296898 1.4153807 4.1843171 ] [ 4.2312544 3.53264 1.2775486 ] [ 4.2920064 3.8877257 3.7422353 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5894655e-10 1.7012375e-10 2.8651686e-10 ] [ 1.8184033e-10 4.2193414e-10 1.151283e-10 ] [ 1.8716291e-10 3.9768159e-10 3.7083474e-10 ] [ 3.6837896e-10 1.2123007e-10 1.7060519e-10 ] [ 4.3296898e-10 1.4153807e-10 4.1843171e-10 ] [ 4.2312544e-10 3.53264e-10 1.2775486e-10 ] [ 4.2920064e-10 3.8877257e-10 3.7422353e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2e-06 -4e-06 0.0001111 ] [ 1.9e-06 2.76e-05 1.08e-05 ] [ -1.22e-05 -4.07e-05 -9.11e-05 ] [ 4.6e-06 -3.3e-06 -4.73e-05 ] [ -2.76e-05 -7.3e-06 1.1e-06 ] [ 1.98e-05 2.48e-05 1.3e-06 ] [ 1.03e-05 3e-06 1.41e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.1269652288e-15 -6.408706535999999e-15 1.780018240374e-13 ] [ 3.0441356046e-15 4.42200750984e-14 1.73035076472e-14 ] [ -1.95465549348e-14 -6.520858900379999e-14 -1.459582913574e-13 ] [ 7.370012516399999e-15 -5.2871828922e-15 -7.578295478819998e-14 ] [ -4.42200750984e-14 -1.16958894282e-14 1.7623942974e-15 ] [ 3.17230973532e-14 3.97339805232e-14 2.0828296242e-15 ] [ 1.65024193302e-14 4.806529901999999e-15 2.25906905394e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.998378080803613e-18 } }