{ "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" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 10.1770975 5.8325884 -5.9242333 ] [ 1.9212404 -6.3480796 8.5424174 ] [ 8.5994021 -4.1224874 0.8866003 ] [ 0.8451828 4.7360696 1.0475201 ] [ -8.4399356 2.2995004 -6.2697726 ] [ -6.4919442 2.7234783 6.6968442 ] [ -6.6110428 -5.1210697 -4.9793761 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.630550768210213e-08 9.344836773229278e-09 -9.491668089424833e-09 ] [ 3.078166451816441e-09 -1.017074472209742e-08 1.368646144339512e-08 ] [ 1.377776099747843e-08 -6.604952931822577e-09 1.420490272654266e-09 ] [ 1.354132122462282e-09 7.588019987601608e-09 1.678312214038078e-09 ] [ -1.352226749937762e-08 3.684205780400248e-09 -1.004528307745243e-08 ] [ -1.040124122077816e-08 4.363493259516128e-09 1.072952721038008e-08 ] [ -1.059205821326817e-08 -8.20485814682727e-09 -7.977839973590283e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.934855 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.431521579123799e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8297806 1.7430927 5.7630658 ] [ 3.0045727 4.7544998 3.1827233 ] [ 4.3710208 0.0423575 2.5236285 ] [ 3.8387672 3.8067293 1.3770156 ] [ 4.4457658 1.7088858 1.0841875 ] [ 3.6492385 0.056854 4.6053944 ] [ 2.5495823 3.8358077 5.1331627 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8297806e-10 1.7430927e-10 5.7630658e-10 ] [ 3.004572700000001e-10 4.7544998e-10 3.1827233e-10 ] [ 4.3710208e-10 4.23575e-12 2.5236285e-10 ] [ 3.8387672e-10 3.8067293e-10 1.3770156e-10 ] [ 4.4457658e-10 1.7088858e-10 1.0841875e-10 ] [ 3.6492385e-10 5.6854e-12 4.6053944e-10 ] [ 2.5495823e-10 3.835807700000001e-10 5.1331627e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0083847 -0.0093583 0.0031402 ] [ -0.0108744 0.0009065 0.0113606 ] [ -0.004294 -0.0024746 -0.0012852 ] [ 0.0073942 -0.0090133 -0.0040908 ] [ 0.0030833 0.0075094 -0.0007637 ] [ -0.0047306 0.0035952 0.0026825 ] [ 0.0010369 0.008835 -0.0110436 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.343377031242176e-11 -1.499364947043264e-11 5.031155024636161e-12 ] [ -1.742270944522752e-11 1.4523731067552e-12 1.820168771826048e-11 ] [ -6.8797464097152e-12 -3.96474626583168e-12 -2.05911739305216e-12 ] [ 1.184681436951936e-11 -1.444089853625664e-11 -6.55418412036864e-12 ] [ 4.93999117491264e-12 1.203138511623552e-11 -1.22358228530496e-12 ] [ -7.57925672235648e-12 5.760145387100159e-12 4.297838785296001e-12 ] [ 1.66129693810752e-12 1.4155230444768e-11 -1.769379772946688e-11 ] ] } "relaxed-potential-energy" { "source-value" -18.217117 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.918703895577823e-18 } }