{ "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" [ [ 0.4009464 1.193297 0.9558509 ] [ 0.2244953 2.906435 0.4394059 ] [ 0.3187826 2.815079 2.795658 ] [ 1.502588 0.0124763 2.860219 ] [ 2.103704 2.743898 0.1444875 ] [ 2.704733 1.991532 2.940817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.009464e-11 1.193297e-10 9.558509e-11 ] [ 2.244953e-11 2.906435e-10 4.394059e-11 ] [ 3.187826e-11 2.815079e-10 2.795658e-10 ] [ 1.502588e-10 1.24763e-12 2.860219e-10 ] [ 2.103704e-10 2.743898e-10 1.444875e-11 ] [ 2.704733e-10 1.991532e-10 2.940817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1935051 -14.4198344 4.5376946 ] [ -10.3175296 14.4723059 -2.471515 ] [ 0.8062753 -0.5460502 0.2094088 ] [ -0.3310849 0.7970712 -0.5858632 ] [ 9.7233666 -0.9523979 -0.4633848 ] [ -1.0745325 0.6489055 -1.2263405 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.912205968025566e-09 -2.31031215514876e-08 7.270188200450408e-09 ] [ -1.653050470953198e-08 2.318719016204591e-08 -3.959803550956513e-09 ] [ 1.291795435588506e-09 -8.748688642231643e-10 3.35509883549783e-10 ] [ -5.30456486279906e-10 1.277048841753001e-09 -9.386563220270746e-10 ] [ 1.557855064198759e-08 -1.525909649079017e-09 -7.424242929940838e-10 ] [ -1.721590849789776e-09 1.039661221208534e-09 -1.964814078240183e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.857455 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.899773718318807e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6469361 0.7117052 0.4646636 ] [ 0.0138052 3.0048745 0.8066507 ] [ 0.4583408 2.7814723 3.1276841 ] [ 1.0914747 0.4882977 2.7856945 ] [ 2.3000826 2.4498803 0.3153546 ] [ 2.74461 2.2264873 2.6363908 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.469361e-11 7.117052e-11 4.646636e-11 ] [ 1.38052e-12 3.0048745e-10 8.066507000000001e-11 ] [ 4.583408e-11 2.7814723e-10 3.1276841e-10 ] [ 1.0914747e-10 4.882977e-11 2.7856945e-10 ] [ 2.3000826e-10 2.4498803e-10 3.153546e-11 ] [ 2.74461e-10 2.2264873e-10 2.6363908e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.1e-06 -4.3e-06 -2e-07 ] [ -1.48e-05 1.97e-05 -1.87e-05 ] [ -2.72e-05 -6.8e-06 5.3e-06 ] [ -5.7e-06 -9.2e-06 3.62e-05 ] [ 6.1e-06 2.02e-05 -1.79e-05 ] [ 3.65e-05 -1.96e-05 -4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.17110076608e-15 -6.889359469440001e-15 -3.2043532416e-16 ] [ -2.371221398784e-14 3.156287942976e-14 -2.996070280896e-14 ] [ -4.357920408576e-14 -1.089480102144e-14 8.491536090240001e-15 ] [ -9.13240673856e-15 -1.474002491136e-14 5.799879367296e-14 ] [ 9.77327738688e-15 3.236396774016e-14 -2.867896151232001e-14 ] [ 5.84794466592e-14 -3.140266176767999e-14 -7.370012455680001e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.513765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.806014482518531e-18 } }