{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.599025 3.051266 5.123232 ] [ 1.56583 2.880417 3.388537 ] [ 2.27514 4.963397 2.856014 ] [ 3.509207 1.897473 3.301843 ] [ 3.336514 3.219201 1.422465 ] [ 4.208969 3.943636 3.692529 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.599025e-10 3.051266e-10 5.123232e-10 ] [ 1.56583e-10 2.880417e-10 3.388537e-10 ] [ 2.27514e-10 4.963397e-10 2.856014e-10 ] [ 3.509207e-10 1.897473e-10 3.301843e-10 ] [ 3.336514e-10 3.219201e-10 1.422465e-10 ] [ 4.208969e-10 3.943636e-10 3.692529e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0668219 -0.7077791 18.9902463 ] [ -24.7507728 -5.3378225 -3.1250988 ] [ -4.3389381 12.1759273 -4.3133383 ] [ 8.1026982 -17.5073948 -2.9564279 ] [ 2.768457 -0.349432 -13.8462626 ] [ 19.2853776 11.7265011 5.2508814 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.709237106737436e-09 -1.133987126710865e-09 3.04257286450937e-08 ] [ -3.965510952689256e-08 -8.552134415480208e-09 -5.006960235050135e-09 ] [ -6.951745182918373e-09 1.950798605662047e-08 -6.910729781861217e-09 ] [ 1.298195362143825e-08 -2.804993863967549e-08 -4.73671966246084e-09 ] [ 4.435557081090106e-09 -5.598517809593857e-10 -2.218415822317742e-08 ] [ 3.089858111402001e-08 1.878792590620548e-08 8.412839417673573e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.60376561 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.673391447850507e-20 } "relaxed-configuration-positions" { "source-value" [ [ 2.5032263 3.3528472 5.6141076 ] [ 1.3254338 2.7164109 3.5803684 ] [ 2.4089842 4.8355735 2.6305142 ] [ 3.6155463 1.8035911 2.8807584 ] [ 3.3283734 3.2988883 0.9807793 ] [ 4.313121 3.9480789 4.098092 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5032263e-10 3.3528472e-10 5.6141076e-10 ] [ 1.3254338e-10 2.7164109e-10 3.5803684e-10 ] [ 2.4089842e-10 4.8355735e-10 2.6305142e-10 ] [ 3.6155463e-10 1.8035911e-10 2.8807584e-10 ] [ 3.3283734e-10 3.2988883e-10 9.807793e-11 ] [ 4.313121e-10 3.9480789e-10 4.098092000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.02e-05 4.76e-05 -6.52e-05 ] [ 3.31e-05 -3.26e-05 4.03e-05 ] [ -1.32e-05 1.97e-05 4.35e-05 ] [ 2.6e-06 1.05e-05 1.55e-05 ] [ -3.7e-06 4e-06 -6.16e-05 ] [ 1.13e-05 -4.93e-05 2.75e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.838573394816e-14 7.626360715008e-14 -1.0446191567616e-13 ] [ 5.303204614848e-14 -5.223095783807999e-14 6.456771781824e-14 ] [ -2.114873139456e-14 3.156287942976e-14 6.969468300480001e-14 ] [ 4.16565921408e-15 1.68228545184e-14 2.48337376224e-14 ] [ -5.928053496960001e-15 6.4087064832e-15 -9.869407984128002e-14 ] [ 1.810459581504e-14 -7.898730740544e-14 4.4059857072e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.949664 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.395200214961541e-18 } }