{ "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" [ [ 0.5353879 0.9970923 2.660459 ] [ 0.8434423 2.30713 1.528251 ] [ 1.912844 1.041012 0.0827139 ] [ 2.263312 0.2132627 1.656325 ] [ 2.91731 1.870919 1.650254 ] [ 2.184429 2.813613 2.907386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.353879e-11 9.970923e-11 2.660459e-10 ] [ 8.434423e-11 2.30713e-10 1.528251e-10 ] [ 1.912844e-10 1.041012e-10 8.27139e-12 ] [ 2.263312e-10 2.132627e-11 1.656325e-10 ] [ 2.91731e-10 1.870919e-10 1.650254e-10 ] [ 2.184429e-10 2.813613e-10 2.907386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.7957448 -20.7575242 14.5111864 ] [ -13.1519479 17.7111291 -16.7546196 ] [ -5.8786984 1.8440347 -28.2414809 ] [ -1.1461292 -30.8579557 14.7345323 ] [ 30.0791759 10.1050473 -7.9777498 ] [ 2.8933444 21.9552688 23.7281317 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.050104316428317e-08 -3.325721997893022e-08 2.324948359015092e-08 ] [ -2.107174344335966e-08 2.837635697199055e-08 -2.684385981351745e-08 ] [ -9.418713137214367e-09 2.954469284283942e-09 -4.524784043474974e-08 ] [ -1.836301408656207e-09 -4.94398951882221e-08 2.360732316948245e-08 ] [ 4.81921523999108e-08 1.619007053613816e-08 -1.278176421615188e-08 ] [ 4.635648753602604e-09 3.517621837473967e-08 3.801665786500336e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 18.119142 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.903006570135536e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2224481 1.0299052 2.010969 ] [ 0.2512528 2.8007356 3.3295943 ] [ 2.4375344 -0.7604742 -0.8312657 ] [ 2.0779714 0.5412309 0.9091528 ] [ 3.3298544 2.1076112 1.8479101 ] [ 2.3376641 3.5240203 3.2190284 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.224481e-11 1.0299052e-10 2.010969e-10 ] [ 2.512528e-11 2.8007356e-10 3.3295943e-10 ] [ 2.4375344e-10 -7.604742e-11 -8.312657e-11 ] [ 2.0779714e-10 5.412309e-11 9.091528e-11 ] [ 3.3298544e-10 2.1076112e-10 1.8479101e-10 ] [ 2.3376641e-10 3.5240203e-10 3.2190284e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.2237419 0.0293016 0.0869157 ] [ 0.0130457 0.0255149 0.0479914 ] [ 0.0157316 -0.0367025 0.0477579 ] [ 0.1239264 -0.1029433 -0.24314 ] [ 0.1476143 -0.005425 -0.0650771 ] [ -0.0765762 0.0902542 0.1255521 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.584740412733716e-10 4.694633847203328e-11 1.392543025204666e-10 ] [ 2.090151554197056e-11 4.087937626204992e-11 7.689069907946112e-11 ] [ 2.520480172777728e-11 -5.8803887424912e-11 7.651659083850432e-11 ] [ 1.985519807799091e-10 -1.649333485280006e-10 -3.895532235813119e-10 ] [ 2.365041803557575e-10 -8.69180816784e-12 -1.042650081694637e-10 ] [ -1.22688597349705e-10 1.446031691690074e-10 2.011566393123437e-10 ] ] } "relaxed-potential-energy" { "source-value" -13.738559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.201159803328143e-18 } }