{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.176479 -8.0607979 3.8105581 ] [ -1.6394331 -10.2626825 6.1224799 ] [ -7.1321135 -4.7385582 -0.2015723 ] [ 5.3326223 9.8435186 -8.7449482 ] [ 6.6286754 4.6435587 1.2738961 ] [ -4.4072818 3.4328542 -10.2195662 ] [ 1.3940098 5.1421071 7.9591526 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.82750530191686e-10 -1.291482204677627e-08 6.105187150319435e-09 ] [ -2.626661405826185e-09 -1.64426301036607e-08 9.809294237914655e-09 ] [ -1.142690560073596e-08 -7.592007226889099e-09 -3.229544291216382e-10 ] [ 8.543802847007338e-09 1.577105549726439e-08 -1.401095167158036e-08 ] [ 1.06203088402506e-08 7.439801247747415e-09 2.041006565563727e-09 ] [ -7.06124391941346e-09 5.500038787168762e-09 -1.637355017525617e-08 ] [ 2.233449929127013e-09 8.2385638451455e-09 1.275196832216035e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.915374 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.588618054017111e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1974325 3.0231834 2.7026578 ] [ 4.7380039 0.6276536 1.6074409 ] [ 5.6447456 1.9041429 3.5637149 ] [ 3.2841661 1.0681206 3.6001665 ] [ 5.2339675 4.0986168 2.655795 ] [ 3.9431946 2.8446106 0.9819529 ] [ 3.2304258 4.9719743 3.61764 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1974325e-10 3.0231834e-10 2.7026578e-10 ] [ 4.7380039e-10 6.276536e-11 1.6074409e-10 ] [ 5.644745600000001e-10 1.9041429e-10 3.5637149e-10 ] [ 3.2841661e-10 1.0681206e-10 3.6001665e-10 ] [ 5.233967500000001e-10 4.098616800000001e-10 2.655795e-10 ] [ 3.9431946e-10 2.8446106e-10 9.819529e-11 ] [ 3.2304258e-10 4.9719743e-10 3.61764e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.18e-05 2.95e-05 -2e-07 ] [ 3.94e-05 -4.69e-05 -6.12e-05 ] [ 0.0001057 1.31e-05 5.41e-05 ] [ -0.0001201 -6.58e-05 4.76e-05 ] [ -1.34e-05 8.09e-05 1.47e-05 ] [ -4.11e-05 9.6e-06 -2.96e-05 ] [ 4.14e-05 -2.04e-05 -2.54e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.89056842812e-14 4.726421070299999e-14 -3.204353268e-16 ] [ 6.31257593796e-14 -7.514208413459999e-14 -9.805321000079999e-14 ] [ 1.693500702138e-13 2.09885139054e-14 8.66777558994e-14 ] [ -1.924214137434e-13 -1.054232225172e-13 7.62636077784e-14 ] [ -2.14691668956e-14 1.296160896906e-13 2.35519965198e-14 ] [ -6.58494596574e-14 1.53808956864e-14 -4.74244283664e-14 ] [ 6.633011264759999e-14 -3.26844033336e-14 -4.06952865036e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.063307 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.894060840816863e-18 } }