{ "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" [ [ 2.164327 2.183765 1.328393 ] [ 2.70587 2.068279 5.162644 ] [ 0.8559813 1.907046 3.441903 ] [ 2.386273 0.2061938 3.516969 ] [ 3.489815 3.035472 2.979319 ] [ 4.556806 1.225964 3.894732 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.164327e-10 2.183765e-10 1.328393e-10 ] [ 2.70587e-10 2.068279e-10 5.162644000000001e-10 ] [ 8.559813e-11 1.907046e-10 3.441903e-10 ] [ 2.386273e-10 2.061938e-11 3.516969e-10 ] [ 3.489815e-10 3.035472e-10 2.979319e-10 ] [ 4.556806e-10 1.225964e-10 3.894732e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.0242186 -4.7746178 -11.1806989 ] [ -5.5492793 5.6826344 13.5224587 ] [ -13.9573499 11.7939071 -1.5252752 ] [ 6.8080355 -19.4487411 -3.06692 ] [ 4.4369398 18.9803205 0.7294393 ] [ 16.2858724 -12.2335031 1.5209961 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.285621554702819e-08 -7.649781075440484e-09 -1.79134545293695e-08 ] [ -8.890925629999877e-09 9.10458405524461e-09 2.166536736337001e-08 ] [ -2.236213988234224e-08 1.88959223791867e-08 -2.443760285859677e-09 ] [ 1.090767540154251e-08 -3.116031855113546e-08 -4.91374756234728e-09 ] [ 7.108761274024632e-09 3.040982601093119e-08 1.168690602381316e-09 ] [ 2.60928442235855e-08 -1.960023281878656e-08 2.436904411825127e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.759037 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.044223095374146e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.897587 2.8392176 1.3975828 ] [ 2.533376 2.3264228 4.9216662 ] [ 0.7241252 1.4886011 3.1966178 ] [ 2.4184101 -0.2843009 4.0746611 ] [ 3.9087687 3.2745628 2.8819437 ] [ 4.6768054 0.9822164 3.8514884 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.897587e-10 2.8392176e-10 1.3975828e-10 ] [ 2.533376e-10 2.3264228e-10 4.9216662e-10 ] [ 7.241252e-11 1.4886011e-10 3.1966178e-10 ] [ 2.4184101e-10 -2.843009e-11 4.0746611e-10 ] [ 3.9087687e-10 3.2745628e-10 2.8819437e-10 ] [ 4.6768054e-10 9.822164e-11 3.8514884e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.5e-06 1.3e-06 -1e-07 ] [ -1.2e-06 -5.6e-06 7.4e-06 ] [ -2.07e-05 -6.5e-06 -1.22e-05 ] [ 2.25e-05 4.03e-05 2.1e-06 ] [ 9e-07 -2.04e-05 9.9e-06 ] [ -0.0 -9.1e-06 -7.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.403264951e-15 2.0828296242e-15 -1.602176634e-16 ] [ -1.9226119608e-15 -8.972189150399999e-15 1.18561070916e-14 ] [ -3.316505632379999e-14 -1.0414148121e-14 -1.95465549348e-14 ] [ 3.6048974265e-14 6.456771835019998e-14 3.364570931399999e-15 ] [ 1.4419589706e-15 -3.26844033336e-14 1.58615486766e-14 ] [ 0.0 -1.45798073694e-14 -1.15356717648e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.426274 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.272649892248171e-18 } }